N-propan-2-yl-2-propylheptan-1-amine

C13H29N — CID 62529127

IUPACN-propan-2-yl-2-propylheptan-1-amine
SMILESCCCCCC(CCC)CNC(C)C
InChIInChI=1S/C13H29N/c1-5-7-8-10-13(9-6-2)11-14-12(3)4/h12-14H,5-11H2,1-4H3
InChIKeyCDOVYNOYCWEAAY-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds9

About N-propan-2-yl-2-propylheptan-1-amine

N-propan-2-yl-2-propylheptan-1-amine (PubChem CID 62529127) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-propan-2-yl-2-propylheptan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-propylheptan-1-amine
PubChem CID62529127
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-propan-2-yl-2-propylheptan-1-amine
SMILESCCCCCC(CCC)CNC(C)C
InChIInChI=1S/C13H29N/c1-5-7-8-10-13(9-6-2)11-14-12(3)4/h12-14H,5-11H2,1-4H3
InChIKeyCDOVYNOYCWEAAY-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
2-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 62529731
N-ethyl-2-propylnonan-1-amine
CID 63498677
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
N,2-dipropyloctan-1-amine
CID 63497286

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-propylheptan-1-amine?
The IUPAC name of N-propan-2-yl-2-propylheptan-1-amine (CID 62529127) is N-propan-2-yl-2-propylheptan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-propylheptan-1-amine?
The canonical SMILES for N-propan-2-yl-2-propylheptan-1-amine is CCCCCC(CCC)CNC(C)C.
What is the InChIKey of N-propan-2-yl-2-propylheptan-1-amine?
The InChIKey is CDOVYNOYCWEAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-7-8-10-13(9-6-2)11-14-12(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N-propan-2-yl-2-propylheptan-1-amine?
N-propan-2-yl-2-propylheptan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-propylheptan-1-amine is sourced from PubChem (CID 62529127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).