4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine

C17H37N — CID 139723855

IUPAC4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
SMILESCCCCCN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C17H37N/c1-6-7-8-13-18(14-9-11-16(2)3)15-10-12-17(4)5/h16-17H,6-15H2,1-5H3
InChIKeyKJSPZXKXBQLDQS-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.35
Rot. Bonds12

About 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine

4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine (PubChem CID 139723855) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
PubChem CID139723855
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
SMILESCCCCCN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C17H37N/c1-6-7-8-13-18(14-9-11-16(2)3)15-10-12-17(4)5/h16-17H,6-15H2,1-5H3
InChIKeyKJSPZXKXBQLDQS-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.35
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)nonan-1-amine
CID 139723744
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718
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,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
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 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine?
The IUPAC name of 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine (CID 139723855) is 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine.
What is the SMILES notation for 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine?
The canonical SMILES for 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine is CCCCCN(CCCC(C)C)CCCC(C)C.
What is the InChIKey of 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine?
The InChIKey is KJSPZXKXBQLDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-6-7-8-13-18(14-9-11-16(2)3)15-10-12-17(4)5/h16-17H,6-15H2,1-5H3.
What are the key properties of 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine?
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.35, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine is sourced from PubChem (CID 139723855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).