N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine

C17H25N — CID 114095475

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCC1(C2CC2)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H25N/c1-3-16(14-6-4-13(2)5-7-14)18-12-17(10-11-17)15-8-9-15/h4-7,15-16,18H,3,8-12H2,1-2H3
InChIKeyCXBYWHSPAYSBHP-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.23
Rot. Bonds6

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 114095475) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID114095475
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCC1(C2CC2)CC1)c1ccc(C)cc1
InChIInChI=1S/C17H25N/c1-3-16(14-6-4-13(2)5-7-14)18-12-17(10-11-17)15-8-9-15/h4-7,15-16,18H,3,8-12H2,1-2H3
InChIKeyCXBYWHSPAYSBHP-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine (CID 114095475) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine is CCC(NCC1(C2CC2)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is CXBYWHSPAYSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-16(14-6-4-13(2)5-7-14)18-12-17(10-11-17)15-8-9-15/h4-7,15-16,18H,3,8-12H2,1-2H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 114095475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).