N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine

C13H28N2O — CID 81079207

IUPACN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
SMILESCOCCN(CCC(C)CN)C(C)C1CC1
InChIInChI=1S/C13H28N2O/c1-11(10-14)6-7-15(8-9-16-3)12(2)13-4-5-13/h11-13H,4-10,14H2,1-3H3
InChIKeySKSZRCABUHVHPT-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds9

About N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine

N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine (PubChem CID 81079207) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
PubChem CID81079207
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
SMILESCOCCN(CCC(C)CN)C(C)C1CC1
InChIInChI=1S/C13H28N2O/c1-11(10-14)6-7-15(8-9-16-3)12(2)13-4-5-13/h11-13H,4-10,14H2,1-3H3
InChIKeySKSZRCABUHVHPT-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
2-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]butan-1-ol
CID 64826962
N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
CID 81079088
1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol
CID 64820243
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872820
2-(cyclopropylamino)-4-[1-cyclopropylethyl(2-methoxyethyl)amino]butan-1-ol
CID 64825763
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62556804
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 62617474
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
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 55089014
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62462719

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine (CID 81079207) is N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine is COCCN(CCC(C)CN)C(C)C1CC1.
What is the InChIKey of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine?
The InChIKey is SKSZRCABUHVHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(10-14)6-7-15(8-9-16-3)12(2)13-4-5-13/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine?
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 9 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)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 81079207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).