N-(2-methylpropyl)hex-1-yn-3-amine

C10H19N — CID 107234224

IUPACN-(2-methylpropyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCC(C)C
InChIInChI=1S/C10H19N/c1-5-7-10(6-2)11-8-9(3)4/h2,9-11H,5,7-8H2,1,3-4H3
InChIKeySDVUYLDJJWBGTB-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds5

About N-(2-methylpropyl)hex-1-yn-3-amine

N-(2-methylpropyl)hex-1-yn-3-amine (PubChem CID 107234224) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(2-methylpropyl)hex-1-yn-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)hex-1-yn-3-amine
PubChem CID107234224
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(2-methylpropyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCC(C)C
InChIInChI=1S/C10H19N/c1-5-7-10(6-2)11-8-9(3)4/h2,9-11H,5,7-8H2,1,3-4H3
InChIKeySDVUYLDJJWBGTB-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-methylpropyl)hex-1-yn-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

(2S)-1-methoxy-N-(2-methylpropyl)but-3-yn-2-amine
CID 167274032
N-[2-(3-methylbutoxy)ethyl]hex-1-yn-3-amine
CID 106229882
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
N-pentan-2-ylhex-1-yn-3-amine
CID 106226440
2-(hex-1-yn-3-ylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106229712
N-hex-1-yn-3-yldecan-1-amine
CID 106226428
N-hex-1-yn-3-yloctan-1-amine
CID 106225987
N-prop-2-enylhex-1-yn-3-amine
CID 106229885
N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106226213
2-(hex-1-yn-3-ylamino)-1-thiophen-2-ylethanol
CID 106229852
1-(2-chlorophenyl)-2-(hex-1-yn-3-ylamino)ethanol
CID 114161254
1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol
CID 106229854

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)hex-1-yn-3-amine?
The IUPAC name of N-(2-methylpropyl)hex-1-yn-3-amine (CID 107234224) is N-(2-methylpropyl)hex-1-yn-3-amine.
What is the SMILES notation for N-(2-methylpropyl)hex-1-yn-3-amine?
The canonical SMILES for N-(2-methylpropyl)hex-1-yn-3-amine is C#CC(CCC)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)hex-1-yn-3-amine?
The InChIKey is SDVUYLDJJWBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-7-10(6-2)11-8-9(3)4/h2,9-11H,5,7-8H2,1,3-4H3.
What are the key properties of N-(2-methylpropyl)hex-1-yn-3-amine?
N-(2-methylpropyl)hex-1-yn-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)hex-1-yn-3-amine is sourced from PubChem (CID 107234224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).