N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine

C14H26ClN — CID 103067923

IUPACN-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine
SMILESC=C(CCl)CN(CCC(C)C)C1CCCC1
InChIInChI=1S/C14H26ClN/c1-12(2)8-9-16(11-13(3)10-15)14-6-4-5-7-14/h12,14H,3-11H2,1-2H3
InChIKeyLZHNZSCDDPNOEH-UHFFFAOYSA-N
MW243.82 g/mol
LogP4.07
Rot. Bonds7

About N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine

N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine (PubChem CID 103067923) has the molecular formula C14H26ClN and a molecular weight of 243.82 g/mol. Its IUPAC name is N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine.

Molecular Properties

Compound NameN-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine
PubChem CID103067923
Molecular FormulaC14H26ClN
Molecular Weight243.82 g/mol
Exact Mass243.18
IUPAC NameN-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine
SMILESC=C(CCl)CN(CCC(C)C)C1CCCC1
InChIInChI=1S/C14H26ClN/c1-12(2)8-9-16(11-13(3)10-15)14-6-4-5-7-14/h12,14H,3-11H2,1-2H3
InChIKeyLZHNZSCDDPNOEH-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.82
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopentyl(3-methylbutyl)amino]methyl]prop-2-ene-1-thiol
CID 103073511
N'-cyclopropyl-N'-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070075
N-cyclopropyl-N'-ethyl-N-(3-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103070074
2-[[cyclopentyl(2-methylpropyl)amino]methyl]prop-2-ene-1-thiol
CID 103073510
3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
CID 82850075
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 104746796
1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 103159907
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 78991088
N-[(E)-4-chlorobut-2-enyl]-N-(3-methylbutyl)cyclopropanamine
CID 78996930
2-[cyclopentyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070001
2-[2-chloroprop-2-enyl(cyclopentyl)amino]ethanol
CID 62014468

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine?
The IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine (CID 103067923) is N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine.
What is the SMILES notation for N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine?
The canonical SMILES for N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine is C=C(CCl)CN(CCC(C)C)C1CCCC1.
What is the InChIKey of N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine?
The InChIKey is LZHNZSCDDPNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN/c1-12(2)8-9-16(11-13(3)10-15)14-6-4-5-7-14/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine?
N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine has a molecular weight of 243.82 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)prop-2-enyl]-N-(3-methylbutyl)cyclopentanamine is sourced from PubChem (CID 103067923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).