2-methyl-2-propan-2-yl-N-propyloctan-1-amine

C15H33N — CID 83159495

IUPAC2-methyl-2-propan-2-yl-N-propyloctan-1-amine
SMILESCCCCCCC(C)(CNCCC)C(C)C
InChIInChI=1S/C15H33N/c1-6-8-9-10-11-15(5,14(3)4)13-16-12-7-2/h14,16H,6-13H2,1-5H3
InChIKeyOJCRGESOFOCCSG-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.62
Rot. Bonds10

About 2-methyl-2-propan-2-yl-N-propyloctan-1-amine

2-methyl-2-propan-2-yl-N-propyloctan-1-amine (PubChem CID 83159495) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-N-propyloctan-1-amine.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-N-propyloctan-1-amine
PubChem CID83159495
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name2-methyl-2-propan-2-yl-N-propyloctan-1-amine
SMILESCCCCCCC(C)(CNCCC)C(C)C
InChIInChI=1S/C15H33N/c1-6-8-9-10-11-15(5,14(3)4)13-16-12-7-2/h14,16H,6-13H2,1-5H3
InChIKeyOJCRGESOFOCCSG-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.62
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

N-(2-methoxyethyl)-2-methyl-2-propan-2-yldecan-1-amine
CID 83150997
N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
CID 83159399
6-methyl-6-propan-2-ylundecane
CID 87930599
N-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
3-ethyl-2,3-dimethyldecane
CID 57491701
3-ethyl-2,3-dimethylnonane
CID 57490996
2,2-diethyl-N-propylnonan-1-amine
CID 63507422
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-N-propyloctan-1-amine?
The IUPAC name of 2-methyl-2-propan-2-yl-N-propyloctan-1-amine (CID 83159495) is 2-methyl-2-propan-2-yl-N-propyloctan-1-amine.
What is the SMILES notation for 2-methyl-2-propan-2-yl-N-propyloctan-1-amine?
The canonical SMILES for 2-methyl-2-propan-2-yl-N-propyloctan-1-amine is CCCCCCC(C)(CNCCC)C(C)C.
What is the InChIKey of 2-methyl-2-propan-2-yl-N-propyloctan-1-amine?
The InChIKey is OJCRGESOFOCCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-6-8-9-10-11-15(5,14(3)4)13-16-12-7-2/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-methyl-2-propan-2-yl-N-propyloctan-1-amine?
2-methyl-2-propan-2-yl-N-propyloctan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-N-propyloctan-1-amine is sourced from PubChem (CID 83159495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).