N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine

C18H29N — CID 55195742

IUPACN-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
SMILESCc1ccccc1C1(CNC(C)C)CCCCCC1
InChIInChI=1S/C18H29N/c1-15(2)19-14-18(12-8-4-5-9-13-18)17-11-7-6-10-16(17)3/h6-7,10-11,15,19H,4-5,8-9,12-14H2,1-3H3
InChIKeyUZKYUFUORKRSKM-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.59
Rot. Bonds4

About N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine

N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine (PubChem CID 55195742) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
PubChem CID55195742
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
SMILESCc1ccccc1C1(CNC(C)C)CCCCCC1
InChIInChI=1S/C18H29N/c1-15(2)19-14-18(12-8-4-5-9-13-18)17-11-7-6-10-16(17)3/h6-7,10-11,15,19H,4-5,8-9,12-14H2,1-3H3
InChIKeyUZKYUFUORKRSKM-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine (CID 55195742) is N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine is Cc1ccccc1C1(CNC(C)C)CCCCCC1.
What is the InChIKey of N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine?
The InChIKey is UZKYUFUORKRSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-15(2)19-14-18(12-8-4-5-9-13-18)17-11-7-6-10-16(17)3/h6-7,10-11,15,19H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine?
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 55195742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).