N-heptyl-N-(2-methylpropyl)octan-1-amine

C19H41N — CID 6425714

IUPACN-heptyl-N-(2-methylpropyl)octan-1-amine
SMILESCCCCCCCCN(CCCCCCC)CC(C)C
InChIInChI=1S/C19H41N/c1-5-7-9-11-13-15-17-20(18-19(3)4)16-14-12-10-8-6-2/h19H,5-18H2,1-4H3
InChIKeyABPWHNNDKAOIRX-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.28
Rot. Bonds15

About N-heptyl-N-(2-methylpropyl)octan-1-amine

N-heptyl-N-(2-methylpropyl)octan-1-amine (PubChem CID 6425714) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N-heptyl-N-(2-methylpropyl)octan-1-amine.

Molecular Properties

Compound NameN-heptyl-N-(2-methylpropyl)octan-1-amine
PubChem CID6425714
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN-heptyl-N-(2-methylpropyl)octan-1-amine
SMILESCCCCCCCCN(CCCCCCC)CC(C)C
InChIInChI=1S/C19H41N/c1-5-7-9-11-13-15-17-20(18-19(3)4)16-14-12-10-8-6-2/h19H,5-18H2,1-4H3
InChIKeyABPWHNNDKAOIRX-UHFFFAOYSA-N
XLogP6.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.28
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-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
3-[dodecyl(2-methylpropyl)amino]propanenitrile
CID 63517908
3-[2-methylpropyl(octyl)amino]propanenitrile
CID 63516603
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718
N-hexadecyl-N-(8-methylnonyl)hexadecan-1-amine
CID 139723889
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-(2-methylpropyl)octan-1-amine?
The IUPAC name of N-heptyl-N-(2-methylpropyl)octan-1-amine (CID 6425714) is N-heptyl-N-(2-methylpropyl)octan-1-amine.
What is the SMILES notation for N-heptyl-N-(2-methylpropyl)octan-1-amine?
The canonical SMILES for N-heptyl-N-(2-methylpropyl)octan-1-amine is CCCCCCCCN(CCCCCCC)CC(C)C.
What is the InChIKey of N-heptyl-N-(2-methylpropyl)octan-1-amine?
The InChIKey is ABPWHNNDKAOIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-5-7-9-11-13-15-17-20(18-19(3)4)16-14-12-10-8-6-2/h19H,5-18H2,1-4H3.
What are the key properties of N-heptyl-N-(2-methylpropyl)octan-1-amine?
N-heptyl-N-(2-methylpropyl)octan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.28, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-(2-methylpropyl)octan-1-amine is sourced from PubChem (CID 6425714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).