N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine

C16H31N3 — CID 123449807

IUPACN-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine
SMILESCCC(C)CCC(C)=NC1C=CCC(NC)CCN1
InChIInChI=1S/C16H31N3/c1-5-13(2)9-10-14(3)19-16-8-6-7-15(17-4)11-12-18-16/h6,8,13,15-18H,5,7,9-12H2,1-4H3
InChIKeyCKNQFMHQZJLWPN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.13
Rot. Bonds6

About N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine

N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine (PubChem CID 123449807) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine.

Molecular Properties

Compound NameN-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine
PubChem CID123449807
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine
SMILESCCC(C)CCC(C)=NC1C=CCC(NC)CCN1
InChIInChI=1S/C16H31N3/c1-5-13(2)9-10-14(3)19-16-8-6-7-15(17-4)11-12-18-16/h6,8,13,15-18H,5,7,9-12H2,1-4H3
InChIKeyCKNQFMHQZJLWPN-UHFFFAOYSA-N
XLogP3.13
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine with MolForge

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Related Compounds

6-[amino-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-N-(4-methyl-2-propylpentyl)-2,3-dihydropyridin-2-amine
CID 90944264
(5Z,7Z)-8-butyl-12-methyl-3,11-diazabicyclo[11.3.0]hexadeca-1(16),5,7,11-tetraene
CID 155238505

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine?
The IUPAC name of N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine (CID 123449807) is N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine.
What is the SMILES notation for N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine?
The canonical SMILES for N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine is CCC(C)CCC(C)=NC1C=CCC(NC)CCN1.
What is the InChIKey of N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine?
The InChIKey is CKNQFMHQZJLWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-13(2)9-10-14(3)19-16-8-6-7-15(17-4)11-12-18-16/h6,8,13,15-18H,5,7,9-12H2,1-4H3.
What are the key properties of N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine?
N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine has a molecular weight of 265.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(5-methylheptan-2-ylideneamino)-1,2,3,4,5,8-hexahydroazocin-4-amine is sourced from PubChem (CID 123449807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).