N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine

C25H53N — CID 139723142

IUPACN-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
SMILESCCCCCCCN(CCCCCCC(C)C)CCCCCCC(C)C
InChIInChI=1S/C25H53N/c1-6-7-8-11-16-21-26(22-17-12-9-14-19-24(2)3)23-18-13-10-15-20-25(4)5/h24-25H,6-23H2,1-5H3
InChIKeyJEMLVKHHHXLLQQ-UHFFFAOYSA-N
MW367.71 g/mol
LogP8.47
Rot. Bonds20

About N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine

N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine (PubChem CID 139723142) has the molecular formula C25H53N and a molecular weight of 367.71 g/mol. Its IUPAC name is N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine.

Molecular Properties

Compound NameN-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
PubChem CID139723142
Molecular FormulaC25H53N
Molecular Weight367.71 g/mol
Exact Mass367.42
IUPAC NameN-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
SMILESCCCCCCCN(CCCCCCC(C)C)CCCCCCC(C)C
InChIInChI=1S/C25H53N/c1-6-7-8-11-16-21-26(22-17-12-9-14-19-24(2)3)23-18-13-10-15-20-25(4)5/h24-25H,6-23H2,1-5H3
InChIKeyJEMLVKHHHXLLQQ-UHFFFAOYSA-N
XLogP8.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 58.47
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,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
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-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
13-methyl-N-(13-methyltetradecyl)-N-octyltetradecan-1-amine
CID 139723246
8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine
CID 139723771
N,N-diheptyl-16-methylheptadecan-1-amine
CID 139723972

Frequently Asked Questions

What is the IUPAC name of N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine?
The IUPAC name of N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine (CID 139723142) is N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine.
What is the SMILES notation for N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine?
The canonical SMILES for N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine is CCCCCCCN(CCCCCCC(C)C)CCCCCCC(C)C.
What is the InChIKey of N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine?
The InChIKey is JEMLVKHHHXLLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N/c1-6-7-8-11-16-21-26(22-17-12-9-14-19-24(2)3)23-18-13-10-15-20-25(4)5/h24-25H,6-23H2,1-5H3.
What are the key properties of N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine?
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine has a molecular weight of 367.71 g/mol, XLogP of 8.47, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine is sourced from PubChem (CID 139723142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).