6-methyl-N-propylnon-2-yn-5-amine

C13H25N — CID 115819999

IUPAC6-methyl-N-propylnon-2-yn-5-amine
SMILESCC#CCC(NCCC)C(C)CCC
InChIInChI=1S/C13H25N/c1-5-8-10-13(14-11-7-3)12(4)9-6-2/h12-14H,6-7,9-11H2,1-4H3
InChIKeyVBRRURONQIPVGK-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds7

About 6-methyl-N-propylnon-2-yn-5-amine

6-methyl-N-propylnon-2-yn-5-amine (PubChem CID 115819999) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 6-methyl-N-propylnon-2-yn-5-amine.

Molecular Properties

Compound Name6-methyl-N-propylnon-2-yn-5-amine
PubChem CID115819999
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name6-methyl-N-propylnon-2-yn-5-amine
SMILESCC#CCC(NCCC)C(C)CCC
InChIInChI=1S/C13H25N/c1-5-8-10-13(14-11-7-3)12(4)9-6-2/h12-14H,6-7,9-11H2,1-4H3
InChIKeyVBRRURONQIPVGK-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methyl-N-propylnon-2-yn-5-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-methyl-N-propylhept-5-yn-3-amine
CID 62312371
3-ethyl-N-propyloct-6-yn-4-amine
CID 115819984
4-methyl-N-propyldecan-5-amine
CID 115837654
4-methyl-N-propyldec-9-yn-5-amine
CID 105034144
1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
CID 107896692
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
1,1,1-trifluoro-N-propyloct-6-yn-4-amine
CID 79964063
1,1,1-trifluoro-N-propylhex-4-yn-2-amine
CID 115819818
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
CID 116772502
1-(2-methylpropylsulfanyl)-N-propylhex-4-yn-2-amine
CID 65136852
1-(2-methylcyclopropyl)-N-propylpent-3-yn-1-amine
CID 65419772
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 107893980

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propylnon-2-yn-5-amine?
The IUPAC name of 6-methyl-N-propylnon-2-yn-5-amine (CID 115819999) is 6-methyl-N-propylnon-2-yn-5-amine.
What is the SMILES notation for 6-methyl-N-propylnon-2-yn-5-amine?
The canonical SMILES for 6-methyl-N-propylnon-2-yn-5-amine is CC#CCC(NCCC)C(C)CCC.
What is the InChIKey of 6-methyl-N-propylnon-2-yn-5-amine?
The InChIKey is VBRRURONQIPVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-8-10-13(14-11-7-3)12(4)9-6-2/h12-14H,6-7,9-11H2,1-4H3.
What are the key properties of 6-methyl-N-propylnon-2-yn-5-amine?
6-methyl-N-propylnon-2-yn-5-amine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propylnon-2-yn-5-amine is sourced from PubChem (CID 115819999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).