N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine

C17H25N — CID 83160248

IUPACN-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(CC(C)(CNC2CC2)C2CC2)c1
InChIInChI=1S/C17H25N/c1-13-4-3-5-14(10-13)11-17(2,15-6-7-15)12-18-16-8-9-16/h3-5,10,15-16,18H,6-9,11-12H2,1-2H3
InChIKeyFVRRAVXGTGDPHO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.71
Rot. Bonds6

About N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine

N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine (PubChem CID 83160248) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
PubChem CID83160248
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(CC(C)(CNC2CC2)C2CC2)c1
InChIInChI=1S/C17H25N/c1-13-4-3-5-14(10-13)11-17(2,15-6-7-15)12-18-16-8-9-16/h3-5,10,15-16,18H,6-9,11-12H2,1-2H3
InChIKeyFVRRAVXGTGDPHO-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83160159
4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 28553389
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
CID 83159341
N-(2-cyclopropyl-2-methyl-5-phenylpentyl)cyclopropanamine
CID 83160152
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045
N-(2,2-dimethyl-3-phenylpropyl)cyclopropanamine
CID 62724545
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol
CID 115149642

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine (CID 83160248) is N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine is Cc1cccc(CC(C)(CNC2CC2)C2CC2)c1.
What is the InChIKey of N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine?
The InChIKey is FVRRAVXGTGDPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13-4-3-5-14(10-13)11-17(2,15-6-7-15)12-18-16-8-9-16/h3-5,10,15-16,18H,6-9,11-12H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine?
N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine has a molecular weight of 243.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 83160248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).