N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

C11H22N2O — CID 82739830

IUPACN-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CCNCC1CC1)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-13(11-4-7-14-9-11)6-5-12-8-10-2-3-10/h10-12H,2-9H2,1H3
InChIKeyCMOKBFIHTGGZJS-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds6

About N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82739830) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82739830
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CCNCC1CC1)C1CCOC1
InChIInChI=1S/C11H22N2O/c1-13(11-4-7-14-9-11)6-5-12-8-10-2-3-10/h10-12H,2-9H2,1H3
InChIKeyCMOKBFIHTGGZJS-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
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-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754461
N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754548
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088
N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754007
N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
CID 55066114
N-butyl-N-methyloxolan-3-amine
CID 154189060
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N'-methyl-N-(4-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754279
N'-(2-methoxyethyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62557389
N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82739830) is N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is CN(CCNCC1CC1)C1CCOC1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is CMOKBFIHTGGZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13(11-4-7-14-9-11)6-5-12-8-10-2-3-10/h10-12H,2-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82739830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).