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

C13H26N2O — CID 62856420

IUPACN'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCO1)CC1CCC1
InChIInChI=1S/C13H26N2O/c1-15(11-12-4-2-5-12)8-7-14-10-13-6-3-9-16-13/h12-14H,2-11H2,1H3
InChIKeyMLQQODRYMUIUMH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds7

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

N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62856420) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62856420
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCO1)CC1CCC1
InChIInChI=1S/C13H26N2O/c1-15(11-12-4-2-5-12)8-7-14-10-13-6-3-9-16-13/h12-14H,2-11H2,1H3
InChIKeyMLQQODRYMUIUMH-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 55089415
N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62555829
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
CID 62555308
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62844681
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62557923
N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62575237
N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62557513
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 62856420) is N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CN(CCNCC1CCCO1)CC1CCC1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is MLQQODRYMUIUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(11-12-4-2-5-12)8-7-14-10-13-6-3-9-16-13/h12-14H,2-11H2,1H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62856420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).