4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine

C10H19N — CID 126658180

IUPAC4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine
SMILESC#CC(NCC(C)C)C(C)C
InChIInChI=1S/C10H19N/c1-6-10(9(4)5)11-7-8(2)3/h1,8-11H,7H2,2-5H3
InChIKeyPGACLRUKKMTKTG-UHFFFAOYSA-N
MW153.27 g/mol
LogP1.89
Rot. Bonds4

About 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine

4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine (PubChem CID 126658180) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine
PubChem CID126658180
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine
SMILESC#CC(NCC(C)C)C(C)C
InChIInChI=1S/C10H19N/c1-6-10(9(4)5)11-7-8(2)3/h1,8-11H,7H2,2-5H3
InChIKeyPGACLRUKKMTKTG-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine (CID 126658180) is 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine is C#CC(NCC(C)C)C(C)C.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine?
The InChIKey is PGACLRUKKMTKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-10(9(4)5)11-7-8(2)3/h1,8-11H,7H2,2-5H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine?
4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine has a molecular weight of 153.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine is sourced from PubChem (CID 126658180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).