(NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine

C15H22ClNO — CID 58587107

IUPAC(NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine
SMILESC=C(C)C1C/C(=N/O)C2=CCCC(CCl)C2(C)C1
InChIInChI=1S/C15H22ClNO/c1-10(2)11-7-14(17-18)13-6-4-5-12(9-16)15(13,3)8-11/h6,11-12,18H,1,4-5,7-9H2,2-3H3/b17-14-
InChIKeyTVXBZOJASMFXOO-VKAVYKQESA-N
MW267.80 g/mol
LogP4.38
Rot. Bonds2

About (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine

(NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine (PubChem CID 58587107) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine
PubChem CID58587107
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine
SMILESC=C(C)C1C/C(=N/O)C2=CCCC(CCl)C2(C)C1
InChIInChI=1S/C15H22ClNO/c1-10(2)11-7-14(17-18)13-6-4-5-12(9-16)15(13,3)8-11/h6,11-12,18H,1,4-5,7-9H2,2-3H3/b17-14-
InChIKeyTVXBZOJASMFXOO-VKAVYKQESA-N
XLogP4.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene)hydroxylamine
CID 6392683
(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine
CID 58587062
5-(Chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587093
5-(chloromethyl)-N,4a-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587113
(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 59842303
N-[(4aR)-4a,5,6-trimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 117615104
N-[(4aR)-4a,5,6-trimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 117615107
N-(1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene)hydroxylamine
CID 296252
(NZ)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 92526501
(NZ)-N-[(4aR)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 92526502
(NE)-N-[(4aR)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 98474841
(NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 98474842

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine (CID 58587107) is (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine is C=C(C)C1C/C(=N/O)C2=CCCC(CCl)C2(C)C1.
What is the InChIKey of (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine?
The InChIKey is TVXBZOJASMFXOO-VKAVYKQESA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10(2)11-7-14(17-18)13-6-4-5-12(9-16)15(13,3)8-11/h6,11-12,18H,1,4-5,7-9H2,2-3H3/b17-14-.
What are the key properties of (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine?
(NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine has a molecular weight of 267.80 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5-(chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 58587107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).