N-pent-4-en-2-ylpentan-1-amine;hydrochloride

C10H22ClN — CID 155386341

IUPACN-pent-4-en-2-ylpentan-1-amine;hydrochloride
SMILESC=CCC(C)NCCCCC.Cl
InChIInChI=1S/C10H21N.ClH/c1-4-6-7-9-11-10(3)8-5-2;/h5,10-11H,2,4,6-9H2,1,3H3;1H
InChIKeyBMIWEWHZILMWRP-UHFFFAOYSA-N
MW191.75 g/mol
LogP3.15
Rot. Bonds7

About N-pent-4-en-2-ylpentan-1-amine;hydrochloride

N-pent-4-en-2-ylpentan-1-amine;hydrochloride (PubChem CID 155386341) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is N-pent-4-en-2-ylpentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-pent-4-en-2-ylpentan-1-amine;hydrochloride
PubChem CID155386341
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC NameN-pent-4-en-2-ylpentan-1-amine;hydrochloride
SMILESC=CCC(C)NCCCCC.Cl
InChIInChI=1S/C10H21N.ClH/c1-4-6-7-9-11-10(3)8-5-2;/h5,10-11H,2,4,6-9H2,1,3H3;1H
InChIKeyBMIWEWHZILMWRP-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride
CID 175149867
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
2-(pent-4-en-2-ylamino)-N-pentylpropanamide
CID 115632132
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-pentan-2-ylheptan-1-amine
CID 43129169
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
3-methyl-N-pentylpent-4-en-2-amine
CID 154998985
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
methyl 2-(pentylamino)pent-4-enoate
CID 135182519

Frequently Asked Questions

What is the IUPAC name of N-pent-4-en-2-ylpentan-1-amine;hydrochloride?
The IUPAC name of N-pent-4-en-2-ylpentan-1-amine;hydrochloride (CID 155386341) is N-pent-4-en-2-ylpentan-1-amine;hydrochloride.
What is the SMILES notation for N-pent-4-en-2-ylpentan-1-amine;hydrochloride?
The canonical SMILES for N-pent-4-en-2-ylpentan-1-amine;hydrochloride is C=CCC(C)NCCCCC.Cl.
What is the InChIKey of N-pent-4-en-2-ylpentan-1-amine;hydrochloride?
The InChIKey is BMIWEWHZILMWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.ClH/c1-4-6-7-9-11-10(3)8-5-2;/h5,10-11H,2,4,6-9H2,1,3H3;1H.
What are the key properties of N-pent-4-en-2-ylpentan-1-amine;hydrochloride?
N-pent-4-en-2-ylpentan-1-amine;hydrochloride has a molecular weight of 191.75 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-ylpentan-1-amine;hydrochloride is sourced from PubChem (CID 155386341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).