3-ethyl-2-propylpent-4-yn-1-amine

C10H19N — CID 123309537

IUPAC3-ethyl-2-propylpent-4-yn-1-amine
SMILESC#CC(CC)C(CN)CCC
InChIInChI=1S/C10H19N/c1-4-7-10(8-11)9(5-2)6-3/h2,9-10H,4,6-8,11H2,1,3H3
InChIKeySUMASAWHENCZII-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.02
Rot. Bonds5

About 3-ethyl-2-propylpent-4-yn-1-amine

3-ethyl-2-propylpent-4-yn-1-amine (PubChem CID 123309537) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-ethyl-2-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name3-ethyl-2-propylpent-4-yn-1-amine
PubChem CID123309537
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-ethyl-2-propylpent-4-yn-1-amine
SMILESC#CC(CC)C(CN)CCC
InChIInChI=1S/C10H19N/c1-4-7-10(8-11)9(5-2)6-3/h2,9-10H,4,6-8,11H2,1,3H3
InChIKeySUMASAWHENCZII-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpent-4-yne-1,2-diamine
CID 163613012
2-pent-1-yn-3-ylhexan-1-ol
CID 123964878
3-ethyl-4-methylpent-1-yne
CID 15093812
3-methyl-2-propylhexan-1-amine
CID 89026240
ethane;2-propan-2-ylpentan-1-amine
CID 153346460
2-N-hex-1-yn-3-ylbutane-1,2-diamine
CID 106228269
3-ethyl-4-ethynyl-2-methylheptane
CID 123925941
2-(1-iodoethyl)pentan-1-amine
CID 86037084
3-ethyl-2-methylhexan-1-amine
CID 91121737
3-(aminomethyl)heptan-4-ol
CID 54499673
4,5-diethyloctane
CID 519254
1-aminopentan-2-yl(trimethyl)azanium;hydrochloride
CID 174688160

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propylpent-4-yn-1-amine?
The IUPAC name of 3-ethyl-2-propylpent-4-yn-1-amine (CID 123309537) is 3-ethyl-2-propylpent-4-yn-1-amine.
What is the SMILES notation for 3-ethyl-2-propylpent-4-yn-1-amine?
The canonical SMILES for 3-ethyl-2-propylpent-4-yn-1-amine is C#CC(CC)C(CN)CCC.
What is the InChIKey of 3-ethyl-2-propylpent-4-yn-1-amine?
The InChIKey is SUMASAWHENCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-7-10(8-11)9(5-2)6-3/h2,9-10H,4,6-8,11H2,1,3H3.
What are the key properties of 3-ethyl-2-propylpent-4-yn-1-amine?
3-ethyl-2-propylpent-4-yn-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propylpent-4-yn-1-amine is sourced from PubChem (CID 123309537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).