N-methylheptadecan-9-amine;hydrochloride

C18H40ClN — CID 175813537

IUPACN-methylheptadecan-9-amine;hydrochloride
SMILESCCCCCCCCC(CCCCCCCC)NC.Cl
InChIInChI=1S/C18H39N.ClH/c1-4-6-8-10-12-14-16-18(19-3)17-15-13-11-9-7-5-2;/h18-19H,4-17H2,1-3H3;1H
InChIKeyNKXXVYHONXUFDN-UHFFFAOYSA-N
MW305.98 g/mol
LogP6.50
Rot. Bonds15

About N-methylheptadecan-9-amine;hydrochloride

N-methylheptadecan-9-amine;hydrochloride (PubChem CID 175813537) has the molecular formula C18H40ClN and a molecular weight of 305.98 g/mol. Its IUPAC name is N-methylheptadecan-9-amine;hydrochloride.

Molecular Properties

Compound NameN-methylheptadecan-9-amine;hydrochloride
PubChem CID175813537
Molecular FormulaC18H40ClN
Molecular Weight305.98 g/mol
Exact Mass305.28
IUPAC NameN-methylheptadecan-9-amine;hydrochloride
SMILESCCCCCCCCC(CCCCCCCC)NC.Cl
InChIInChI=1S/C18H39N.ClH/c1-4-6-8-10-12-14-16-18(19-3)17-15-13-11-9-7-5-2;/h18-19H,4-17H2,1-3H3;1H
InChIKeyNKXXVYHONXUFDN-UHFFFAOYSA-N
XLogP6.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.98
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methylundecan-4-amine
CID 60996531
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
3-(methylamino)nonan-1-ol
CID 65235222
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
2-(methylamino)hexadecan-1-ol
CID 118696061
1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine
CID 79086744
N-methylpentadec-1-en-8-amine
CID 107011425
N-methyl-1-[(1S,2R)-2-octylcyclopropyl]hexadecan-8-amine
CID 135356098
1-cyclopropyl-N-methyltetradecan-3-amine
CID 104995022
1-ethoxy-N-methyltridecan-2-amine
CID 105008040
N,3-dimethylundecan-5-amine
CID 115833416

Frequently Asked Questions

What is the IUPAC name of N-methylheptadecan-9-amine;hydrochloride?
The IUPAC name of N-methylheptadecan-9-amine;hydrochloride (CID 175813537) is N-methylheptadecan-9-amine;hydrochloride.
What is the SMILES notation for N-methylheptadecan-9-amine;hydrochloride?
The canonical SMILES for N-methylheptadecan-9-amine;hydrochloride is CCCCCCCCC(CCCCCCCC)NC.Cl.
What is the InChIKey of N-methylheptadecan-9-amine;hydrochloride?
The InChIKey is NKXXVYHONXUFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.ClH/c1-4-6-8-10-12-14-16-18(19-3)17-15-13-11-9-7-5-2;/h18-19H,4-17H2,1-3H3;1H.
What are the key properties of N-methylheptadecan-9-amine;hydrochloride?
N-methylheptadecan-9-amine;hydrochloride has a molecular weight of 305.98 g/mol, XLogP of 6.50, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylheptadecan-9-amine;hydrochloride is sourced from PubChem (CID 175813537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).