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

C12H22ClNO — CID 63388993

IUPACN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
SMILESClCCN(CC1CCCO1)C1CCCC1
InChIInChI=1S/C12H22ClNO/c13-7-8-14(11-4-1-2-5-11)10-12-6-3-9-15-12/h11-12H,1-10H2
InChIKeyDJJPYNBMCQVIBB-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.65
Rot. Bonds5

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

N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine (PubChem CID 63388993) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
PubChem CID63388993
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
SMILESClCCN(CC1CCCO1)C1CCCC1
InChIInChI=1S/C12H22ClNO/c13-7-8-14(11-4-1-2-5-11)10-12-6-3-9-15-12/h11-12H,1-10H2
InChIKeyDJJPYNBMCQVIBB-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.65
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)cyclopentanamine
CID 63389279
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
CID 63386966
3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 111488864
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
CID 102860592
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
N'-cyclopentyl-N'-[2-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 65158903
N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine
CID 95901998

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine (CID 63388993) is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine is ClCCN(CC1CCCO1)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine?
The InChIKey is DJJPYNBMCQVIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-7-8-14(11-4-1-2-5-11)10-12-6-3-9-15-12/h11-12H,1-10H2.
What are the key properties of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine?
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine has a molecular weight of 231.77 g/mol, XLogP of 2.65, 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-(oxolan-2-ylmethyl)cyclopentanamine is sourced from PubChem (CID 63388993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).