2-cyclopropylundecan-3-amine

C14H29N — CID 115835648

IUPAC2-cyclopropylundecan-3-amine
SMILESCCCCCCCCC(N)C(C)C1CC1
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-9-14(15)12(2)13-10-11-13/h12-14H,3-11,15H2,1-2H3
InChIKeyHVCRDBMAULXAKW-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.11
Rot. Bonds9

About 2-cyclopropylundecan-3-amine

2-cyclopropylundecan-3-amine (PubChem CID 115835648) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-cyclopropylundecan-3-amine.

Molecular Properties

Compound Name2-cyclopropylundecan-3-amine
PubChem CID115835648
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-cyclopropylundecan-3-amine
SMILESCCCCCCCCC(N)C(C)C1CC1
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-9-14(15)12(2)13-10-11-13/h12-14H,3-11,15H2,1-2H3
InChIKeyHVCRDBMAULXAKW-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopropylundecan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyltridecan-3-amine
CID 115845964
2-cyclopropyldecan-3-amine
CID 115832316
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
1-cyclopropyl-1-ethoxynonan-2-amine
CID 116723047
octan-2-ylcyclopropane
CID 18968125
(3R)-2-methylundecan-3-amine
CID 167260316
1-cyclopentyldecan-2-amine
CID 115835607
1-cycloheptylheptan-1-amine
CID 65399314
1-cyclopropyloctylcyclopropane
CID 141276542
hexadecane-4,5-diamine
CID 57310882

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylundecan-3-amine?
The IUPAC name of 2-cyclopropylundecan-3-amine (CID 115835648) is 2-cyclopropylundecan-3-amine.
What is the SMILES notation for 2-cyclopropylundecan-3-amine?
The canonical SMILES for 2-cyclopropylundecan-3-amine is CCCCCCCCC(N)C(C)C1CC1.
What is the InChIKey of 2-cyclopropylundecan-3-amine?
The InChIKey is HVCRDBMAULXAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-4-5-6-7-8-9-14(15)12(2)13-10-11-13/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 2-cyclopropylundecan-3-amine?
2-cyclopropylundecan-3-amine has a molecular weight of 211.39 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylundecan-3-amine is sourced from PubChem (CID 115835648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).