N-pent-4-yn-2-ylpentan-3-amine

C10H19N — CID 115725330

IUPACN-pent-4-yn-2-ylpentan-3-amine
SMILESC#CCC(C)NC(CC)CC
InChIInChI=1S/C10H19N/c1-5-8-9(4)11-10(6-2)7-3/h1,9-11H,6-8H2,2-4H3
InChIKeySLXWQPVBIXFAQC-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.18
Rot. Bonds5

About N-pent-4-yn-2-ylpentan-3-amine

N-pent-4-yn-2-ylpentan-3-amine (PubChem CID 115725330) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-pent-4-yn-2-ylpentan-3-amine.

Molecular Properties

Compound NameN-pent-4-yn-2-ylpentan-3-amine
PubChem CID115725330
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-pent-4-yn-2-ylpentan-3-amine
SMILESC#CCC(C)NC(CC)CC
InChIInChI=1S/C10H19N/c1-5-8-9(4)11-10(6-2)7-3/h1,9-11H,6-8H2,2-4H3
InChIKeySLXWQPVBIXFAQC-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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

N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
CID 115723627
N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine
CID 115723603
N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
CID 115755956
N-(1-cyclobutylpropan-2-yl)hex-5-yn-3-amine
CID 115723579
N-ethylpent-4-yn-2-amine
CID 62233889
N-hex-5-yn-3-ylheptan-3-amine
CID 115723674
N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
CID 104716082
N-ethylhex-5-yn-3-amine
CID 62233887
N-but-3-en-2-ylpent-4-yn-2-amine
CID 107908035
N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 103910959
N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine
CID 115664214
N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 113262082

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-ylpentan-3-amine?
The IUPAC name of N-pent-4-yn-2-ylpentan-3-amine (CID 115725330) is N-pent-4-yn-2-ylpentan-3-amine.
What is the SMILES notation for N-pent-4-yn-2-ylpentan-3-amine?
The canonical SMILES for N-pent-4-yn-2-ylpentan-3-amine is C#CCC(C)NC(CC)CC.
What is the InChIKey of N-pent-4-yn-2-ylpentan-3-amine?
The InChIKey is SLXWQPVBIXFAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-8-9(4)11-10(6-2)7-3/h1,9-11H,6-8H2,2-4H3.
What are the key properties of N-pent-4-yn-2-ylpentan-3-amine?
N-pent-4-yn-2-ylpentan-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-ylpentan-3-amine is sourced from PubChem (CID 115725330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).