5-methyl-N-pent-1-yn-3-ylheptan-3-amine

C13H25N — CID 106225174

IUPAC5-methyl-N-pent-1-yn-3-ylheptan-3-amine
SMILESC#CC(CC)NC(CC)CC(C)CC
InChIInChI=1S/C13H25N/c1-6-11(5)10-13(9-4)14-12(7-2)8-3/h2,11-14H,6,8-10H2,1,3-5H3
InChIKeyXMKTYHWIFMBHEG-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds7

About 5-methyl-N-pent-1-yn-3-ylheptan-3-amine

5-methyl-N-pent-1-yn-3-ylheptan-3-amine (PubChem CID 106225174) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 5-methyl-N-pent-1-yn-3-ylheptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-pent-1-yn-3-ylheptan-3-amine
PubChem CID106225174
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name5-methyl-N-pent-1-yn-3-ylheptan-3-amine
SMILESC#CC(CC)NC(CC)CC(C)CC
InChIInChI=1S/C13H25N/c1-6-11(5)10-13(9-4)14-12(7-2)8-3/h2,11-14H,6,8-10H2,1,3-5H3
InChIKeyXMKTYHWIFMBHEG-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 5-methyl-N-pent-1-yn-3-ylheptan-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

Octamylamine
CID 10406
Iproheptine
CID 19917
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
N-(Prop-2-yn-1-yl)heptan-2-amine
CID 24256
Methamexamine
CID 110742
4-Heptanamine, 4-propyl-N-2-propynyl-, hydrochloride
CID 3049079
N-(4-Methylheptan-2-yl)cyclopropanamine
CID 27732
N-(cyclohexylmethyl)propan-2-amine
CID 15365766
Ethyl(3-methylhexan-2-yl)amine hydrochloride
CID 50988214
(Cyclohexylmethyl)(pent-4-yn-1-yl)amine
CID 115757010
Iproheptine, (S)-
CID 38988589
(r)-n-(2-Heptyl)-propargylamine
CID 9793869

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pent-1-yn-3-ylheptan-3-amine?
The IUPAC name of 5-methyl-N-pent-1-yn-3-ylheptan-3-amine (CID 106225174) is 5-methyl-N-pent-1-yn-3-ylheptan-3-amine.
What is the SMILES notation for 5-methyl-N-pent-1-yn-3-ylheptan-3-amine?
The canonical SMILES for 5-methyl-N-pent-1-yn-3-ylheptan-3-amine is C#CC(CC)NC(CC)CC(C)CC.
What is the InChIKey of 5-methyl-N-pent-1-yn-3-ylheptan-3-amine?
The InChIKey is XMKTYHWIFMBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-11(5)10-13(9-4)14-12(7-2)8-3/h2,11-14H,6,8-10H2,1,3-5H3.
What are the key properties of 5-methyl-N-pent-1-yn-3-ylheptan-3-amine?
5-methyl-N-pent-1-yn-3-ylheptan-3-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 5-methyl-N-pent-1-yn-3-ylheptan-3-amine is sourced from PubChem (CID 106225174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).