N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride

C15H32ClN — CID 155653006

IUPACN-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride
SMILESCCCCCN(C=CC(C)C)CCCCC.Cl
InChIInChI=1S/C15H31N.ClH/c1-5-7-9-12-16(13-10-8-6-2)14-11-15(3)4;/h11,14-15H,5-10,12-13H2,1-4H3;1H
InChIKeyJUELQJAVCQIBPS-UHFFFAOYSA-N
MW261.88 g/mol
LogP5.26
Rot. Bonds10

About N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride

N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride (PubChem CID 155653006) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride
PubChem CID155653006
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC NameN-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride
SMILESCCCCCN(C=CC(C)C)CCCCC.Cl
InChIInChI=1S/C15H31N.ClH/c1-5-7-9-12-16(13-10-8-6-2)14-11-15(3)4;/h11,14-15H,5-10,12-13H2,1-4H3;1H
InChIKeyJUELQJAVCQIBPS-UHFFFAOYSA-N
XLogP5.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.88
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride
CID 155386365
N-hex-1-enyl-N-hexylhexan-1-amine
CID 54411369
N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine
CID 154124490
N-butyl-N-oct-1-enyloctan-1-amine
CID 139766519
(E)-3-(dioctylamino)prop-2-enal
CID 134949607
N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride
CID 155653033
N-decyl-N-(2-methylpropyl)formamide
CID 12622742
N-decyl-N-dodecylformamide
CID 174803125
N-butyl-N-ethenylpentan-1-amine
CID 154960223
N-hexyl-N-octylformamide
CID 169189817
N-butyl-N-octadecylformamide
CID 54030417
(Z)-2-methyloct-3-ene;octane
CID 159051061

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride?
The IUPAC name of N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride (CID 155653006) is N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride.
What is the SMILES notation for N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride?
The canonical SMILES for N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride is CCCCCN(C=CC(C)C)CCCCC.Cl.
What is the InChIKey of N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride?
The InChIKey is JUELQJAVCQIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.ClH/c1-5-7-9-12-16(13-10-8-6-2)14-11-15(3)4;/h11,14-15H,5-10,12-13H2,1-4H3;1H.
What are the key properties of N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride?
N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride has a molecular weight of 261.88 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride is sourced from PubChem (CID 155653006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).