N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine

C17H27N — CID 113475005

IUPACN-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCC(C)C2CC2)c1
InChIInChI=1S/C17H27N/c1-13-5-4-6-16(11-13)8-7-15(3)18-12-14(2)17-9-10-17/h4-6,11,14-15,17-18H,7-10,12H2,1-3H3
InChIKeyFYTBPMHBFZLTKA-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.95
Rot. Bonds7

About N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine

N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine (PubChem CID 113475005) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
PubChem CID113475005
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCC(C)C2CC2)c1
InChIInChI=1S/C17H27N/c1-13-5-4-6-16(11-13)8-7-15(3)18-12-14(2)17-9-10-17/h4-6,11,14-15,17-18H,7-10,12H2,1-3H3
InChIKeyFYTBPMHBFZLTKA-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
CID 61169167
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
CID 103271353
N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
CID 115728445
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]hexan-1-ol
CID 103787400
4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 61241070
N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062566

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine (CID 113475005) is N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)NCC(C)C2CC2)c1.
What is the InChIKey of N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine?
The InChIKey is FYTBPMHBFZLTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-5-4-6-16(11-13)8-7-15(3)18-12-14(2)17-9-10-17/h4-6,11,14-15,17-18H,7-10,12H2,1-3H3.
What are the key properties of N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine?
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 113475005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).