1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine

C15H30N2O — CID 63913494

IUPAC1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CCCOC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-3-8-16-15(14-6-7-14)11-17(2)10-13-5-4-9-18-12-13/h13-16H,3-12H2,1-2H3
InChIKeyNWOWHVPETJKHDT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds8

About 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine

1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine (PubChem CID 63913494) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
PubChem CID63913494
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CCCOC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-3-8-16-15(14-6-7-14)11-17(2)10-13-5-4-9-18-12-13/h13-16H,3-12H2,1-2H3
InChIKeyNWOWHVPETJKHDT-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 63913660
3-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)propanoic acid
CID 63711612
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 107505772
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683
1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine
CID 113448271
N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63706145
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
CID 63912618

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine (CID 63913494) is 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine is CCCNC(CN(C)CC1CCCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine?
The InChIKey is NWOWHVPETJKHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-8-16-15(14-6-7-14)11-17(2)10-13-5-4-9-18-12-13/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine?
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 63913494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).