2-N-pent-3-ynylpropane-1,2-diamine

C8H16N2 — CID 116643455

IUPAC2-N-pent-3-ynylpropane-1,2-diamine
SMILESCC#CCCNC(C)CN
InChIInChI=1S/C8H16N2/c1-3-4-5-6-10-8(2)7-9/h8,10H,5-7,9H2,1-2H3
InChIKeySUTTZBPBCYBSNI-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.34
Rot. Bonds4

About 2-N-pent-3-ynylpropane-1,2-diamine

2-N-pent-3-ynylpropane-1,2-diamine (PubChem CID 116643455) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-N-pent-3-ynylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-pent-3-ynylpropane-1,2-diamine
PubChem CID116643455
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-N-pent-3-ynylpropane-1,2-diamine
SMILESCC#CCCNC(C)CN
InChIInChI=1S/C8H16N2/c1-3-4-5-6-10-8(2)7-9/h8,10H,5-7,9H2,1-2H3
InChIKeySUTTZBPBCYBSNI-UHFFFAOYSA-N
XLogP0.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(pent-3-ynylamino)butanoic acid
CID 116643865
methyl 3-(pent-3-ynylamino)butanoate
CID 116643964
N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine
CID 102870139
1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine
CID 116643527
2-N-[2-(methylamino)ethyl]propane-1,2-diamine
CID 91508922
N-[1-(4-chlorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 104928140
N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 114830878
N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine
CID 104807377
3-(1-aminopropan-2-ylamino)propane-1-thiol
CID 54076736
2,3-dimethyloct-6-yn-1-amine
CID 104813748
tert-butyl 2-(pent-3-ynylamino)propanoate
CID 116643809
1-(4-methylsulfanylphenyl)-N-pent-3-ynylethane-1,2-diamine
CID 116643336

Frequently Asked Questions

What is the IUPAC name of 2-N-pent-3-ynylpropane-1,2-diamine?
The IUPAC name of 2-N-pent-3-ynylpropane-1,2-diamine (CID 116643455) is 2-N-pent-3-ynylpropane-1,2-diamine.
What is the SMILES notation for 2-N-pent-3-ynylpropane-1,2-diamine?
The canonical SMILES for 2-N-pent-3-ynylpropane-1,2-diamine is CC#CCCNC(C)CN.
What is the InChIKey of 2-N-pent-3-ynylpropane-1,2-diamine?
The InChIKey is SUTTZBPBCYBSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-6-10-8(2)7-9/h8,10H,5-7,9H2,1-2H3.
What are the key properties of 2-N-pent-3-ynylpropane-1,2-diamine?
2-N-pent-3-ynylpropane-1,2-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pent-3-ynylpropane-1,2-diamine is sourced from PubChem (CID 116643455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).