N-methylundecan-4-amine

C12H27N — CID 60996531

IUPACN-methylundecan-4-amine
SMILESCCCCCCCC(CCC)NC
InChIInChI=1S/C12H27N/c1-4-6-7-8-9-11-12(13-3)10-5-2/h12-13H,4-11H2,1-3H3
InChIKeyKBSZZEWTCVVNLB-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.73
Rot. Bonds9

About N-methylundecan-4-amine

N-methylundecan-4-amine (PubChem CID 60996531) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-methylundecan-4-amine.

Molecular Properties

Compound NameN-methylundecan-4-amine
PubChem CID60996531
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-methylundecan-4-amine
SMILESCCCCCCCC(CCC)NC
InChIInChI=1S/C12H27N/c1-4-6-7-8-9-11-12(13-3)10-5-2/h12-13H,4-11H2,1-3H3
InChIKeyKBSZZEWTCVVNLB-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.73
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-methylheptadecan-9-amine;hydrochloride
CID 175813537
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-ethylhexadecan-4-amine
CID 63413885
N-methyl-1-[(1S,2R)-2-octylcyclopropyl]hexadecan-8-amine
CID 135356098
1-cyclopropyl-N-methyltetradecan-3-amine
CID 104995022
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864

Frequently Asked Questions

What is the IUPAC name of N-methylundecan-4-amine?
The IUPAC name of N-methylundecan-4-amine (CID 60996531) is N-methylundecan-4-amine.
What is the SMILES notation for N-methylundecan-4-amine?
The canonical SMILES for N-methylundecan-4-amine is CCCCCCCC(CCC)NC.
What is the InChIKey of N-methylundecan-4-amine?
The InChIKey is KBSZZEWTCVVNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-4-6-7-8-9-11-12(13-3)10-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-methylundecan-4-amine?
N-methylundecan-4-amine has a molecular weight of 185.35 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylundecan-4-amine is sourced from PubChem (CID 60996531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).