N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride

C15H32ClN — CID 155652944

IUPACN-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride
SMILESCC=C(C)CN(CCCCC)CCCCC.Cl
InChIInChI=1S/C15H31N.ClH/c1-5-8-10-12-16(13-11-9-6-2)14-15(4)7-3;/h7H,5-6,8-14H2,1-4H3;1H
InChIKeyRIHONVJIVQJEKO-UHFFFAOYSA-N
MW261.88 g/mol
LogP5.06
Rot. Bonds10

About N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride

N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride (PubChem CID 155652944) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride
PubChem CID155652944
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC NameN-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride
SMILESCC=C(C)CN(CCCCC)CCCCC.Cl
InChIInChI=1S/C15H31N.ClH/c1-5-8-10-12-16(13-11-9-6-2)14-15(4)7-3;/h7H,5-6,8-14H2,1-4H3;1H
InChIKeyRIHONVJIVQJEKO-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
H-Bond Donors ≤ 50
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-[(E)-3-chloro-2-methylprop-2-enyl]-N-pentylpentan-1-amine
CID 21159426
lithium N-heptyl-N-(2-methylbut-2-enyl)heptan-1-amine
CID 140648805
N,N-dioctadecyloctadecan-1-amine;hydrochloride
CID 45050162
[hexyl(hydroxymethyl)amino]methanol
CID 18004283
[dodecyl(hydroxymethyl)amino]methanol
CID 19019052
3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine
CID 145355662
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylpentan-1-amine;hydrate
CID 156801056
N-docosyl-N-icosyldocosan-1-amine
CID 23464225

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride?
The IUPAC name of N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride (CID 155652944) is N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride.
What is the SMILES notation for N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride?
The canonical SMILES for N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride is CC=C(C)CN(CCCCC)CCCCC.Cl.
What is the InChIKey of N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride?
The InChIKey is RIHONVJIVQJEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.ClH/c1-5-8-10-12-16(13-11-9-6-2)14-15(4)7-3;/h7H,5-6,8-14H2,1-4H3;1H.
What are the key properties of N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride?
N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride has a molecular weight of 261.88 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride is sourced from PubChem (CID 155652944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).