(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine

C17H29NO — CID 59842303

IUPAC(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
SMILESCC(C)C1CCC2=C/C(=N\O)CC[C@]2(C)C1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)15-7-6-13-10-14(18-19)8-9-17(13,5)16(15)12(3)4/h10-12,15-16,19H,6-9H2,1-5H3/b18-14-/t15?,16?,17-/m0/s1
InChIKeyZRHKKBSZUAASLG-RBYZYFMYSA-N
MW263.42 g/mol
LogP4.88
Rot. Bonds2

About (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine

(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine (PubChem CID 59842303) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
PubChem CID59842303
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
SMILESCC(C)C1CCC2=C/C(=N\O)CC[C@]2(C)C1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)15-7-6-13-10-14(18-19)8-9-17(13,5)16(15)12(3)4/h10-12,15-16,19H,6-9H2,1-5H3/b18-14-/t15?,16?,17-/m0/s1
InChIKeyZRHKKBSZUAASLG-RBYZYFMYSA-N
XLogP4.88
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
CID 145388629
(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 44310974
(NE)-N-[(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-ylidene]hydroxylamine
CID 73355378
(E,5R,6S,9R)-N-methoxy-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-imine
CID 44516380
3,5(6)-Androstadien-7-one oxime
CID 129886783
(E,6S,9R)-N-methoxy-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-imine
CID 135014729
(E,5R,6R)-N-methoxy-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-imine
CID 135014809
(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 162416980
(2E)-N-hydroxy-1-(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)propan-2-imine
CID 5348740
(NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine
CID 5382663
(NZ)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine
CID 5729323
(NE)-N-(1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene)hydroxylamine
CID 6392683

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine (CID 59842303) is (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine is CC(C)C1CCC2=C/C(=N\O)CC[C@]2(C)C1C(C)C.
What is the InChIKey of (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine?
The InChIKey is ZRHKKBSZUAASLG-RBYZYFMYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(2)15-7-6-13-10-14(18-19)8-9-17(13,5)16(15)12(3)4/h10-12,15-16,19H,6-9H2,1-5H3/b18-14-/t15?,16?,17-/m0/s1.
What are the key properties of (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine?
(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine has a molecular weight of 263.42 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine is sourced from PubChem (CID 59842303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).