N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine

C15H32N2O — CID 62556804

IUPACN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)NCCN(CCOC)C(C)C1CC1
InChIInChI=1S/C15H32N2O/c1-5-6-13(2)16-9-10-17(11-12-18-4)14(3)15-7-8-15/h13-16H,5-12H2,1-4H3
InChIKeyPWRGSHUGPLHGDY-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds11

About N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine

N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine (PubChem CID 62556804) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
PubChem CID62556804
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)NCCN(CCOC)C(C)C1CC1
InChIInChI=1S/C15H32N2O/c1-5-6-13(2)16-9-10-17(11-12-18-4)14(3)15-7-8-15/h13-16H,5-12H2,1-4H3
InChIKeyPWRGSHUGPLHGDY-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 55089014
N',N'-bis(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62560843
1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine
CID 63912366
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207
1-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methoxypropan-2-ol
CID 63928354
2-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]butan-1-ol
CID 64826962
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine
CID 83054207
2-(cyclopropylamino)-4-[1-cyclopropylethyl(2-methoxyethyl)amino]butan-1-ol
CID 64825763
N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62556979
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55072040
N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62258948

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine (CID 62556804) is N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine is CCCC(C)NCCN(CCOC)C(C)C1CC1.
What is the InChIKey of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine?
The InChIKey is PWRGSHUGPLHGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-13(2)16-9-10-17(11-12-18-4)14(3)15-7-8-15/h13-16H,5-12H2,1-4H3.
What are the key properties of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine?
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62556804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).