2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine

C16H25N — CID 103783805

IUPAC2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine
SMILESCCC1CC1NC(C)CCc1cccc(C)c1
InChIInChI=1S/C16H25N/c1-4-15-11-16(15)17-13(3)8-9-14-7-5-6-12(2)10-14/h5-7,10,13,15-17H,4,8-9,11H2,1-3H3
InChIKeyGUMGHIKPLBEPTR-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.70
Rot. Bonds6

About 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine

2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine (PubChem CID 103783805) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine
PubChem CID103783805
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine
SMILESCCC1CC1NC(C)CCc1cccc(C)c1
InChIInChI=1S/C16H25N/c1-4-15-11-16(15)17-13(3)8-9-14-7-5-6-12(2)10-14/h5-7,10,13,15-17H,4,8-9,11H2,1-3H3
InChIKeyGUMGHIKPLBEPTR-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
CID 115728445
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 64742986
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105151232
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
CID 61169167
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
CID 83229577

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine?
The IUPAC name of 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine (CID 103783805) is 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine is CCC1CC1NC(C)CCc1cccc(C)c1.
What is the InChIKey of 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine?
The InChIKey is GUMGHIKPLBEPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-15-11-16(15)17-13(3)8-9-14-7-5-6-12(2)10-14/h5-7,10,13,15-17H,4,8-9,11H2,1-3H3.
What are the key properties of 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine?
2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 103783805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).