N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine

C13H24ClN — CID 102860573

IUPACN-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine
SMILESClCCCN(CC1CCCC1)C1CCC1
InChIInChI=1S/C13H24ClN/c14-9-4-10-15(13-7-3-8-13)11-12-5-1-2-6-12/h12-13H,1-11H2
InChIKeyRAHJPQUSXCVHCE-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.66
Rot. Bonds6

About N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine

N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine (PubChem CID 102860573) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine
PubChem CID102860573
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC NameN-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine
SMILESClCCCN(CC1CCCC1)C1CCC1
InChIInChI=1S/C13H24ClN/c14-9-4-10-15(13-7-3-8-13)11-12-5-1-2-6-12/h12-13H,1-11H2
InChIKeyRAHJPQUSXCVHCE-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N'-(cyclopentylmethyl)propane-1,3-diamine
CID 61344091
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057
N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
CID 174640221
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
N-(2-bromoethyl)-N-(cyclobutylmethyl)cyclopentanamine
CID 80672742
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
N-(3-chloropropyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclobutanamine
CID 102860429
N-(3-chloropropyl)-N-(2-propoxyethyl)cyclobutanamine
CID 106457906
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine
CID 63045600
N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
CID 102860592
3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide
CID 65457588

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine?
The IUPAC name of N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine (CID 102860573) is N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine.
What is the SMILES notation for N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine?
The canonical SMILES for N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine is ClCCCN(CC1CCCC1)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine?
The InChIKey is RAHJPQUSXCVHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c14-9-4-10-15(13-7-3-8-13)11-12-5-1-2-6-12/h12-13H,1-11H2.
What are the key properties of N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine?
N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine has a molecular weight of 229.79 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine is sourced from PubChem (CID 102860573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).