2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine

C15H23N — CID 61222463

IUPAC2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCC(C)c1ccc(CNC2CC2(C)C)cc1
InChIInChI=1S/C15H23N/c1-11(2)13-7-5-12(6-8-13)10-16-14-9-15(14,3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyCZOQLJJVQSBFJK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.70
Rot. Bonds4

About 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine

2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine (PubChem CID 61222463) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
PubChem CID61222463
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCC(C)c1ccc(CNC2CC2(C)C)cc1
InChIInChI=1S/C15H23N/c1-11(2)13-7-5-12(6-8-13)10-16-14-9-15(14,3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyCZOQLJJVQSBFJK-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 64850958
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
CID 61223755
4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine
CID 65083512
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77031859
N-[(4-propan-2-ylphenyl)methyl]adamantan-1-amine
CID 4721713
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
1-(2,2-dimethylcyclopropyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107004322

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine (CID 61222463) is 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine is CC(C)c1ccc(CNC2CC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is CZOQLJJVQSBFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)13-7-5-12(6-8-13)10-16-14-9-15(14,3)4/h5-8,11,14,16H,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 61222463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).