1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine

C16H26N2 — CID 62427985

IUPAC1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
SMILESCCC(CNC1CC1)N(CC)c1cccc(C)c1
InChIInChI=1S/C16H26N2/c1-4-15(12-17-14-9-10-14)18(5-2)16-8-6-7-13(3)11-16/h6-8,11,14-15,17H,4-5,9-10,12H2,1-3H3
InChIKeyLFUOJSDCCWSXEL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.35
Rot. Bonds7

About 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine

1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine (PubChem CID 62427985) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
PubChem CID62427985
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
SMILESCCC(CNC1CC1)N(CC)c1cccc(C)c1
InChIInChI=1S/C16H26N2/c1-4-15(12-17-14-9-10-14)18(5-2)16-8-6-7-13(3)11-16/h6-8,11,14-15,17H,4-5,9-10,12H2,1-3H3
InChIKeyLFUOJSDCCWSXEL-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 62570686
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810
2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55195045
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045
2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103225832
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621
N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide
CID 4177926
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethyl-3-methylaniline
CID 62426937
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine (CID 62427985) is 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine is CCC(CNC1CC1)N(CC)c1cccc(C)c1.
What is the InChIKey of 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The InChIKey is LFUOJSDCCWSXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-15(12-17-14-9-10-14)18(5-2)16-8-6-7-13(3)11-16/h6-8,11,14-15,17H,4-5,9-10,12H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine?
1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 62427985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).