hept-1-yn-1-amine;hydrochloride

C7H14ClN — CID 176913212

IUPAChept-1-yn-1-amine;hydrochloride
SMILESCCCCCC#CN.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-4-5-6-7-8;/h2-5,8H2,1H3;1H
InChIKeyWWOKWOWSYWEBBC-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.91
Rot. Bonds3

About hept-1-yn-1-amine;hydrochloride

hept-1-yn-1-amine;hydrochloride (PubChem CID 176913212) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is hept-1-yn-1-amine;hydrochloride.

Molecular Properties

Compound Namehept-1-yn-1-amine;hydrochloride
PubChem CID176913212
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Namehept-1-yn-1-amine;hydrochloride
SMILESCCCCCC#CN.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-4-5-6-7-8;/h2-5,8H2,1H3;1H
InChIKeyWWOKWOWSYWEBBC-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nonacos-1-yn-1-amine
CID 87460999
tricos-1-yn-1-amine
CID 87460820
triacont-1-yn-1-amine
CID 87461084
hex-1-yn-1-amine
CID 15451863
henicos-8-yne
CID 22224321
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
dodec-4-yn-1-amine
CID 15707491
octadec-5-yn-1-amine
CID 87547791
tridec-6-yn-1-amine
CID 15707496
hexadeca-3,9-diyne
CID 54568863
hept-1-ynylphosphane
CID 21095524

Frequently Asked Questions

What is the IUPAC name of hept-1-yn-1-amine;hydrochloride?
The IUPAC name of hept-1-yn-1-amine;hydrochloride (CID 176913212) is hept-1-yn-1-amine;hydrochloride.
What is the SMILES notation for hept-1-yn-1-amine;hydrochloride?
The canonical SMILES for hept-1-yn-1-amine;hydrochloride is CCCCCC#CN.Cl.
What is the InChIKey of hept-1-yn-1-amine;hydrochloride?
The InChIKey is WWOKWOWSYWEBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-3-4-5-6-7-8;/h2-5,8H2,1H3;1H.
What are the key properties of hept-1-yn-1-amine;hydrochloride?
hept-1-yn-1-amine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-yn-1-amine;hydrochloride is sourced from PubChem (CID 176913212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).