N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride

C10H22ClN — CID 155225919

IUPACN-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride
SMILESC/C=C(\C)CNCCCCC.Cl
InChIInChI=1S/C10H21N.ClH/c1-4-6-7-8-11-9-10(3)5-2;/h5,11H,4,6-9H2,1-3H3;1H/b10-5+;
InChIKeyMRYYDKNFIGPQPT-OAZHBLANSA-N
MW191.75 g/mol
LogP3.15
Rot. Bonds6

About N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride

N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride (PubChem CID 155225919) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride
PubChem CID155225919
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC NameN-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride
SMILESC/C=C(\C)CNCCCCC.Cl
InChIInChI=1S/C10H21N.ClH/c1-4-6-7-8-11-9-10(3)5-2;/h5,11H,4,6-9H2,1-3H3;1H/b10-5+;
InChIKeyMRYYDKNFIGPQPT-OAZHBLANSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methylbut-2-en-1-amine
CID 76568540
N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
CID 135177358
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine
CID 166834532
(pentylamino)methanol;hydrate
CID 174681478
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;sulfane
CID 173223078

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride?
The IUPAC name of N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride (CID 155225919) is N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride?
The canonical SMILES for N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride is C/C=C(\C)CNCCCCC.Cl.
What is the InChIKey of N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride?
The InChIKey is MRYYDKNFIGPQPT-OAZHBLANSA-N. The full InChI is InChI=1S/C10H21N.ClH/c1-4-6-7-8-11-9-10(3)5-2;/h5,11H,4,6-9H2,1-3H3;1H/b10-5+;.
What are the key properties of N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride?
N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride has a molecular weight of 191.75 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 155225919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).