N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine

C13H24ClNO — CID 63389279

IUPACN-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
SMILESClCCN(CC1CCCCO1)C1CCCC1
InChIInChI=1S/C13H24ClNO/c14-8-9-15(12-5-1-2-6-12)11-13-7-3-4-10-16-13/h12-13H,1-11H2
InChIKeyYMZCCXCQWKEWFB-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.04
Rot. Bonds5

About N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine

N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine (PubChem CID 63389279) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
PubChem CID63389279
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
SMILESClCCN(CC1CCCCO1)C1CCCC1
InChIInChI=1S/C13H24ClNO/c14-8-9-15(12-5-1-2-6-12)11-13-7-3-4-10-16-13/h12-13H,1-11H2
InChIKeyYMZCCXCQWKEWFB-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
CID 63386966
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 111488864
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
CID 102860592
4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79115797
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
2-(3-chloropropyl)oxane
CID 23511686
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine
CID 103139756

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine (CID 63389279) is N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine is ClCCN(CC1CCCCO1)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine?
The InChIKey is YMZCCXCQWKEWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c14-8-9-15(12-5-1-2-6-12)11-13-7-3-4-10-16-13/h12-13H,1-11H2.
What are the key properties of N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine?
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine has a molecular weight of 245.79 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine is sourced from PubChem (CID 63389279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).