N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C13H26N2O — CID 54806763

IUPACN'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESC1CCC(NCCNCC2CCCO2)CC1
InChIInChI=1S/C13H26N2O/c1-2-5-12(6-3-1)15-9-8-14-11-13-7-4-10-16-13/h12-15H,1-11H2
InChIKeyTXMJTMWGIVDYEG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.68
Rot. Bonds6

About N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54806763) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID54806763
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESC1CCC(NCCNCC2CCCO2)CC1
InChIInChI=1S/C13H26N2O/c1-2-5-12(6-3-1)15-9-8-14-11-13-7-4-10-16-13/h12-15H,1-11H2
InChIKeyTXMJTMWGIVDYEG-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050
N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cycloheptanamine
CID 106513640

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 54806763) is N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is C1CCC(NCCNCC2CCCO2)CC1.
What is the InChIKey of N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is TXMJTMWGIVDYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-5-12(6-3-1)15-9-8-14-11-13-7-4-10-16-13/h12-15H,1-11H2.
What are the key properties of N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54806763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).