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

C14H26ClNO — CID 63386966

IUPACN-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
SMILESClCCN(CC1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H26ClNO/c15-9-10-16(13-6-2-1-3-7-13)12-14-8-4-5-11-17-14/h13-14H,1-12H2
InChIKeyRMPLMSKTJLSUSW-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.43
Rot. Bonds5

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

N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine (PubChem CID 63386966) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
PubChem CID63386966
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
SMILESClCCN(CC1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H26ClNO/c15-9-10-16(13-6-2-1-3-7-13)12-14-8-4-5-11-17-14/h13-14H,1-12H2
InChIKeyRMPLMSKTJLSUSW-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.43
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-(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
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
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
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
2-(3-chloropropyl)oxane
CID 23511686

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine?
The IUPAC name of N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine (CID 63386966) is N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine is ClCCN(CC1CCCCO1)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine?
The InChIKey is RMPLMSKTJLSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c15-9-10-16(13-6-2-1-3-7-13)12-14-8-4-5-11-17-14/h13-14H,1-12H2.
What are the key properties of N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine?
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine has a molecular weight of 259.82 g/mol, XLogP of 3.43, 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)cyclohexanamine is sourced from PubChem (CID 63386966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).