N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine

C13H19N — CID 4723387

IUPACN-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
SMILESCC(C)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H19N/c1-10(2)12-5-3-11(4-6-12)9-14-13-7-8-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyNIMZIHWYZATVSS-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine

N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine (PubChem CID 4723387) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
PubChem CID4723387
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
SMILESCC(C)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H19N/c1-10(2)12-5-3-11(4-6-12)9-14-13-7-8-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyNIMZIHWYZATVSS-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine
CID 65083512
N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 113410382
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 115149482
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine (CID 4723387) is N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine is CC(C)c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine?
The InChIKey is NIMZIHWYZATVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)12-5-3-11(4-6-12)9-14-13-7-8-13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine?
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine has a molecular weight of 189.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 4723387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).