N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine

C15H32N2O — CID 55089014

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

About N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine

N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 55089014) 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-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID55089014
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)NCCN(CCOC)C(C)C1CC1
InChIInChI=1S/C15H32N2O/c1-5-15(6-2)16-9-10-17(11-12-18-4)13(3)14-7-8-14/h13-16H,5-12H2,1-4H3
InChIKeyIMORQIPPXFIFBQ-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-2-ylethane-1,2-diamine
CID 62556804
1-cyclopropyl-N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-propylethane-1,2-diamine
CID 63912366
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872820
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
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-methylbutane-1,4-diamine
CID 81079207
1-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methoxypropan-2-ol
CID 63928354
1-cyclopropyl-N-(2-methoxyethyl)-N-(2-piperidin-4-yloxyethyl)ethanamine
CID 55252268
2-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]butan-1-ol
CID 64826962
1-cyclopropyl-N-(2-methoxyethyl)-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 62461299
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 79615271

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine (CID 55089014) is N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)NCCN(CCOC)C(C)C1CC1.
What is the InChIKey of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is IMORQIPPXFIFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-15(6-2)16-9-10-17(11-12-18-4)13(3)14-7-8-14/h13-16H,5-12H2,1-4H3.
What are the key properties of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine?
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-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-3-ylethane-1,2-diamine is sourced from PubChem (CID 55089014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).