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

C16H33N — CID 115835573

IUPAC1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine
SMILESCCCCCCCCC(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H33N/c1-6-7-8-9-10-11-12-13(17)14-15(2,3)16(14,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyWSFZHSLSCSSNQY-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.75
Rot. Bonds8

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

1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine (PubChem CID 115835573) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine
PubChem CID115835573
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine
SMILESCCCCCCCCC(N)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H33N/c1-6-7-8-9-10-11-12-13(17)14-15(2,3)16(14,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyWSFZHSLSCSSNQY-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.75
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)hexan-1-amine
CID 115837427
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine
CID 70555814
1-cyclobutylnonan-1-amine
CID 64986616
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexacosane-1,1-diamine
CID 137375175
hexatriacontane-18,19-diamine
CID 57054547

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine (CID 115835573) is 1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine is CCCCCCCCC(N)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine?
The InChIKey is WSFZHSLSCSSNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-7-8-9-10-11-12-13(17)14-15(2,3)16(14,4)5/h13-14H,6-12,17H2,1-5H3.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine?
1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.75, 8 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)nonan-1-amine is sourced from PubChem (CID 115835573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).