N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride

C7H16ClN — CID 155386261

IUPACN-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
SMILESC/C=C\NCCCC.Cl
InChIInChI=1S/C7H15N.ClH/c1-3-5-7-8-6-4-2;/h4,6,8H,3,5,7H2,1-2H3;1H/b6-4-;
InChIKeyAMZNUUHFZOZABS-YHSAGPEESA-N
MW149.67 g/mol
LogP2.33
Rot. Bonds4

About N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride

N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride (PubChem CID 155386261) has the molecular formula C7H16ClN and a molecular weight of 149.67 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
PubChem CID155386261
Molecular FormulaC7H16ClN
Molecular Weight149.67 g/mol
Exact Mass149.10
IUPAC NameN-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
SMILESC/C=C\NCCCC.Cl
InChIInChI=1S/C7H15N.ClH/c1-3-5-7-8-6-4-2;/h4,6,8H,3,5,7H2,1-2H3;1H/b6-4-;
InChIKeyAMZNUUHFZOZABS-YHSAGPEESA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-prop-1-enyl]dodecan-1-amine
CID 88674859
(Z)-N-butylhex-1-en-1-amine
CID 146262840
N-ethylprop-1-en-1-amine;hydrochloride
CID 155653050
N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine
CID 144808694
(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride
CID 155225855
3-(butylamino)prop-2-enenitrile
CID 72742325
N-tridecylprop-1-ene-1,3-diamine
CID 173118910
(Z)-N-butyl-3-methylpent-1-en-1-amine
CID 89217712
(1Z,3Z)-N-butylhexa-1,3,5-trien-1-amine
CID 89185045
N-tetradecylprop-1-ene-1,3-diamine
CID 173093162
N-(2-chloroethyl)prop-1-en-1-amine
CID 176897576
N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
CID 121451302

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride?
The IUPAC name of N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride (CID 155386261) is N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride.
What is the SMILES notation for N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride?
The canonical SMILES for N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride is C/C=C\NCCCC.Cl.
What is the InChIKey of N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride?
The InChIKey is AMZNUUHFZOZABS-YHSAGPEESA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-3-5-7-8-6-4-2;/h4,6,8H,3,5,7H2,1-2H3;1H/b6-4-;.
What are the key properties of N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride?
N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride has a molecular weight of 149.67 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 155386261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).