(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine

C14H25N — CID 81011463

IUPAC(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine
SMILESC#CCCC1CC(C(C)C)CCC1CN
InChIInChI=1S/C14H25N/c1-4-5-6-13-9-12(11(2)3)7-8-14(13)10-15/h1,11-14H,5-10,15H2,2-3H3
InChIKeyRQNLVBOQPRXNRM-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.05
Rot. Bonds4

About (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine

(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine (PubChem CID 81011463) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine
PubChem CID81011463
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine
SMILESC#CCCC1CC(C(C)C)CCC1CN
InChIInChI=1S/C14H25N/c1-4-5-6-13-9-12(11(2)3)7-8-14(13)10-15/h1,11-14H,5-10,15H2,2-3H3
InChIKeyRQNLVBOQPRXNRM-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine (CID 81011463) is (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine is C#CCCC1CC(C(C)C)CCC1CN.
What is the InChIKey of (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is RQNLVBOQPRXNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-5-6-13-9-12(11(2)3)7-8-14(13)10-15/h1,11-14H,5-10,15H2,2-3H3.
What are the key properties of (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine?
(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 207.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-3-ynyl-4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 81011463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).