N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine

C21H45N — CID 140640734

IUPACN-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine
SMILESCCCCCC(CCC)CN(C)CC(CCC)CCCCC
InChIInChI=1S/C21H45N/c1-6-10-12-16-20(14-8-3)18-22(5)19-21(15-9-4)17-13-11-7-2/h20-21H,6-19H2,1-5H3
InChIKeyOJYPBCQFQJTDEX-UHFFFAOYSA-N
MW311.60 g/mol
LogP6.91
Rot. Bonds16

About N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine

N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine (PubChem CID 140640734) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine
PubChem CID140640734
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC NameN-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine
SMILESCCCCCC(CCC)CN(C)CC(CCC)CCCCC
InChIInChI=1S/C21H45N/c1-6-10-12-16-20(14-8-3)18-22(5)19-21(15-9-4)17-13-11-7-2/h20-21H,6-19H2,1-5H3
InChIKeyOJYPBCQFQJTDEX-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,N-dimethyl-2-octyldodecan-1-amine
CID 21291112
N,N-dimethyl-2-nonylhenicosan-1-amine
CID 175192311
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
2-propylheptan-1-amine
CID 21267775
5-propylpentacosane
CID 91493421
7,9-dipropylhexadecane
CID 91047634

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine?
The IUPAC name of N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine (CID 140640734) is N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine.
What is the SMILES notation for N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine?
The canonical SMILES for N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine is CCCCCC(CCC)CN(C)CC(CCC)CCCCC.
What is the InChIKey of N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine?
The InChIKey is OJYPBCQFQJTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-6-10-12-16-20(14-8-3)18-22(5)19-21(15-9-4)17-13-11-7-2/h20-21H,6-19H2,1-5H3.
What are the key properties of N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine?
N-methyl-2-propyl-N-(2-propylheptyl)heptan-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-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine is sourced from PubChem (CID 140640734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).