2,2-dimethyl-N-propyloctan-1-amine

C13H29N — CID 63522518

IUPAC2,2-dimethyl-N-propyloctan-1-amine
SMILESCCCCCCC(C)(C)CNCCC
InChIInChI=1S/C13H29N/c1-5-7-8-9-10-13(3,4)12-14-11-6-2/h14H,5-12H2,1-4H3
InChIKeyHXBAJBGQWFZHHP-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds9

About 2,2-dimethyl-N-propyloctan-1-amine

2,2-dimethyl-N-propyloctan-1-amine (PubChem CID 63522518) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyloctan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyloctan-1-amine
PubChem CID63522518
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,2-dimethyl-N-propyloctan-1-amine
SMILESCCCCCCC(C)(C)CNCCC
InChIInChI=1S/C13H29N/c1-5-7-8-9-10-13(3,4)12-14-11-6-2/h14H,5-12H2,1-4H3
InChIKeyHXBAJBGQWFZHHP-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

2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
CID 106452237
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
N,2,2-trimethyloctan-1-amine
CID 62723717
2,2-diethyl-N-propylnonan-1-amine
CID 63507422
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
N-[2-(azetidin-3-yl)ethyl]-2,2-dimethylheptan-1-amine
CID 116680290
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyloctan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyloctan-1-amine (CID 63522518) is 2,2-dimethyl-N-propyloctan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyloctan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyloctan-1-amine is CCCCCCC(C)(C)CNCCC.
What is the InChIKey of 2,2-dimethyl-N-propyloctan-1-amine?
The InChIKey is HXBAJBGQWFZHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-7-8-9-10-13(3,4)12-14-11-6-2/h14H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propyloctan-1-amine?
2,2-dimethyl-N-propyloctan-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 2,2-dimethyl-N-propyloctan-1-amine is sourced from PubChem (CID 63522518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).