1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine

C13H27N — CID 115837427

IUPAC1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine
SMILESCCCCCC(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H27N/c1-6-7-8-9-10(14)11-12(2,3)13(11,4)5/h10-11H,6-9,14H2,1-5H3
InChIKeyWICUMKRQOJODRA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds5

About 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine

1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine (PubChem CID 115837427) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine
PubChem CID115837427
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine
SMILESCCCCCC(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H27N/c1-6-7-8-9-10(14)11-12(2,3)13(11,4)5/h10-11H,6-9,14H2,1-5H3
InChIKeyWICUMKRQOJODRA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
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

1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine
CID 115835573
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine
CID 70555814
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1-cyclobutylnonan-1-amine
CID 64986616
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
hexane-1,1-diamine;hydrobromide
CID 141245501
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-1,1-diamine
CID 21495844

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine (CID 115837427) is 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine is CCCCCC(N)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine?
The InChIKey is WICUMKRQOJODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-7-8-9-10(14)11-12(2,3)13(11,4)5/h10-11H,6-9,14H2,1-5H3.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine?
1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine is sourced from PubChem (CID 115837427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).