N-butylpent-4-yn-2-amine;ethane

C11H23N — CID 144551076

IUPACN-butylpent-4-yn-2-amine;ethane
SMILESC#CCC(C)NCCCC.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-6-8-10-9(3)7-5-2;1-2/h2,9-10H,4,6-8H2,1,3H3;1-2H3
InChIKeyGDSGUGIVMUJEIF-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds5

About N-butylpent-4-yn-2-amine;ethane

N-butylpent-4-yn-2-amine;ethane (PubChem CID 144551076) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-butylpent-4-yn-2-amine;ethane.

Molecular Properties

Compound NameN-butylpent-4-yn-2-amine;ethane
PubChem CID144551076
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-butylpent-4-yn-2-amine;ethane
SMILESC#CCC(C)NCCCC.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-6-8-10-9(3)7-5-2;1-2/h2,9-10H,4,6-8H2,1,3H3;1-2H3
InChIKeyGDSGUGIVMUJEIF-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(butylamino)butanenitrile
CID 60915360
N-pent-4-ynylpentan-2-amine
CID 115724855
N-ethylpent-4-yn-2-amine
CID 62233889
N-(2-propoxyethyl)pent-4-yn-2-amine
CID 106452525
N-pent-4-ynylheptan-2-amine
CID 115724834
4-bromo-N-butylbutan-2-amine
CID 83187017
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
N-butylundecan-2-amine
CID 90035852
N-pentan-2-ylheptan-1-amine
CID 43129169
N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
CID 107446123
3-(pent-4-ynylamino)butanenitrile
CID 103711258
N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
CID 104864264

Frequently Asked Questions

What is the IUPAC name of N-butylpent-4-yn-2-amine;ethane?
The IUPAC name of N-butylpent-4-yn-2-amine;ethane (CID 144551076) is N-butylpent-4-yn-2-amine;ethane.
What is the SMILES notation for N-butylpent-4-yn-2-amine;ethane?
The canonical SMILES for N-butylpent-4-yn-2-amine;ethane is C#CCC(C)NCCCC.CC.
What is the InChIKey of N-butylpent-4-yn-2-amine;ethane?
The InChIKey is GDSGUGIVMUJEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-4-6-8-10-9(3)7-5-2;1-2/h2,9-10H,4,6-8H2,1,3H3;1-2H3.
What are the key properties of N-butylpent-4-yn-2-amine;ethane?
N-butylpent-4-yn-2-amine;ethane has a molecular weight of 169.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpent-4-yn-2-amine;ethane is sourced from PubChem (CID 144551076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).