N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride

C15H32ClN — CID 155653033

IUPACN-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride
SMILESCC=CC(C)N(CCCCC)CCCCC.Cl
InChIInChI=1S/C15H31N.ClH/c1-5-8-10-13-16(14-11-9-6-2)15(4)12-7-3;/h7,12,15H,5-6,8-11,13-14H2,1-4H3;1H
InChIKeyZZMQADKQWJKGHU-UHFFFAOYSA-N
MW261.88 g/mol
LogP5.06
Rot. Bonds10

About N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride

N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride (PubChem CID 155653033) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride
PubChem CID155653033
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC NameN-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride
SMILESCC=CC(C)N(CCCCC)CCCCC.Cl
InChIInChI=1S/C15H31N.ClH/c1-5-8-10-13-16(14-11-9-6-2)15(4)12-7-3;/h7,12,15H,5-6,8-11,13-14H2,1-4H3;1H
InChIKeyZZMQADKQWJKGHU-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,N-dipropylpent-3-en-2-amine;hydrochloride
CID 155653024
(E)-N,N-dipropylpent-3-en-2-amine
CID 121218071
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
(E)-4-methylicos-2-ene
CID 166512402
4-methyloct-2-ene
CID 528286
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-octyl-N-(1-phosphanylethyl)octan-1-amine
CID 21437049
N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride
CID 155653006
1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418
(E)-N,N-dimethylpent-3-en-2-amine;hydrochloride
CID 155225928
(E)-4-chloroundec-2-ene
CID 88753287
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738

Frequently Asked Questions

What is the IUPAC name of N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride?
The IUPAC name of N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride (CID 155653033) is N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride.
What is the SMILES notation for N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride?
The canonical SMILES for N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride is CC=CC(C)N(CCCCC)CCCCC.Cl.
What is the InChIKey of N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride?
The InChIKey is ZZMQADKQWJKGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.ClH/c1-5-8-10-13-16(14-11-9-6-2)15(4)12-7-3;/h7,12,15H,5-6,8-11,13-14H2,1-4H3;1H.
What are the key properties of N-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride?
N-pent-3-en-2-yl-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-pent-3-en-2-yl-N-pentylpentan-1-amine;hydrochloride is sourced from PubChem (CID 155653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).