N,N-bis(4-methylpentyl)nonan-1-amine

C21H45N — CID 139723744

IUPACN,N-bis(4-methylpentyl)nonan-1-amine
SMILESCCCCCCCCCN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C21H45N/c1-6-7-8-9-10-11-12-17-22(18-13-15-20(2)3)19-14-16-21(4)5/h20-21H,6-19H2,1-5H3
InChIKeyBAYCUBARVNDEOL-UHFFFAOYSA-N
MW311.60 g/mol
LogP6.91
Rot. Bonds16

About N,N-bis(4-methylpentyl)nonan-1-amine

N,N-bis(4-methylpentyl)nonan-1-amine (PubChem CID 139723744) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is N,N-bis(4-methylpentyl)nonan-1-amine.

Molecular Properties

Compound NameN,N-bis(4-methylpentyl)nonan-1-amine
PubChem CID139723744
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC NameN,N-bis(4-methylpentyl)nonan-1-amine
SMILESCCCCCCCCCN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C21H45N/c1-6-7-8-9-10-11-12-17-22(18-13-15-20(2)3)19-14-16-21(4)5/h20-21H,6-19H2,1-5H3
InChIKeyBAYCUBARVNDEOL-UHFFFAOYSA-N
XLogP6.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)-N-octyloctan-1-amine
CID 139723154
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-hexadecyl-N-(8-methylnonyl)hexadecan-1-amine
CID 139723889
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylpentyl)nonan-1-amine?
The IUPAC name of N,N-bis(4-methylpentyl)nonan-1-amine (CID 139723744) is N,N-bis(4-methylpentyl)nonan-1-amine.
What is the SMILES notation for N,N-bis(4-methylpentyl)nonan-1-amine?
The canonical SMILES for N,N-bis(4-methylpentyl)nonan-1-amine is CCCCCCCCCN(CCCC(C)C)CCCC(C)C.
What is the InChIKey of N,N-bis(4-methylpentyl)nonan-1-amine?
The InChIKey is BAYCUBARVNDEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-6-7-8-9-10-11-12-17-22(18-13-15-20(2)3)19-14-16-21(4)5/h20-21H,6-19H2,1-5H3.
What are the key properties of N,N-bis(4-methylpentyl)nonan-1-amine?
N,N-bis(4-methylpentyl)nonan-1-amine has a molecular weight of 311.60 g/mol, XLogP of 6.91, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylpentyl)nonan-1-amine is sourced from PubChem (CID 139723744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).