N-pent-4-ynylpentan-2-amine

C10H19N — CID 115724855

IUPACN-pent-4-ynylpentan-2-amine
SMILESC#CCCCNC(C)CCC
InChIInChI=1S/C10H19N/c1-4-6-7-9-11-10(3)8-5-2/h1,10-11H,5-9H2,2-3H3
InChIKeyFPLFUKLHVWJKDJ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.18
Rot. Bonds6

About N-pent-4-ynylpentan-2-amine

N-pent-4-ynylpentan-2-amine (PubChem CID 115724855) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-pent-4-ynylpentan-2-amine.

Molecular Properties

Compound NameN-pent-4-ynylpentan-2-amine
PubChem CID115724855
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-pent-4-ynylpentan-2-amine
SMILESC#CCCCNC(C)CCC
InChIInChI=1S/C10H19N/c1-4-6-7-9-11-10(3)8-5-2/h1,10-11H,5-9H2,2-3H3
InChIKeyFPLFUKLHVWJKDJ-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-pent-4-ynylheptan-2-amine
CID 115724834
3-(pent-4-ynylamino)butan-1-ol
CID 115977666
N-butylpent-4-yn-2-amine;ethane
CID 144551076
3-(pent-4-ynylamino)butanenitrile
CID 103711258
5-(pentan-2-ylamino)pentanenitrile
CID 60689862
N-pentan-2-ylheptan-1-amine
CID 43129169
N-ethyloct-7-yn-2-amine
CID 64503782
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863
5-(pentan-2-ylamino)pentan-2-ol
CID 107270408
4-methyl-N-propyldec-9-yn-5-amine
CID 105034144
ethyl 2-(pent-4-ynylamino)propanoate
CID 115664090
N-butylundecan-2-amine
CID 90035852

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynylpentan-2-amine?
The IUPAC name of N-pent-4-ynylpentan-2-amine (CID 115724855) is N-pent-4-ynylpentan-2-amine.
What is the SMILES notation for N-pent-4-ynylpentan-2-amine?
The canonical SMILES for N-pent-4-ynylpentan-2-amine is C#CCCCNC(C)CCC.
What is the InChIKey of N-pent-4-ynylpentan-2-amine?
The InChIKey is FPLFUKLHVWJKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-6-7-9-11-10(3)8-5-2/h1,10-11H,5-9H2,2-3H3.
What are the key properties of N-pent-4-ynylpentan-2-amine?
N-pent-4-ynylpentan-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynylpentan-2-amine is sourced from PubChem (CID 115724855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).