(NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine

C14H24N2O — CID 21258575

IUPAC(NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCCCCNC1CCC2=C(CCCC2)/C1=N/O
InChIInChI=1S/C14H24N2O/c1-2-3-10-15-13-9-8-11-6-4-5-7-12(11)14(13)16-17/h13,15,17H,2-10H2,1H3/b16-14-
InChIKeyQWTJWDNIPRKPRR-PEZBUJJGSA-N
MW236.36 g/mol
LogP3.24
Rot. Bonds4

About (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine

(NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 21258575) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID21258575
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCCCCNC1CCC2=C(CCCC2)/C1=N/O
InChIInChI=1S/C14H24N2O/c1-2-3-10-15-13-9-8-11-6-4-5-7-12(11)14(13)16-17/h13,15,17H,2-10H2,1H3/b16-14-
InChIKeyQWTJWDNIPRKPRR-PEZBUJJGSA-N
XLogP3.24
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 21258575) is (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is CCCCNC1CCC2=C(CCCC2)/C1=N/O.
What is the InChIKey of (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is QWTJWDNIPRKPRR-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-10-15-13-9-8-11-6-4-5-7-12(11)14(13)16-17/h13,15,17H,2-10H2,1H3/b16-14-.
What are the key properties of (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 236.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-(butylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 21258575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).