N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine

C15H23N — CID 66431979

IUPACN-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2)CCC1C
InChIInChI=1S/C15H23N/c1-12(2)16-11-15(10-9-13(15)3)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyKLTCQJYXODFXGD-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.35
Rot. Bonds4

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

N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine (PubChem CID 66431979) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
PubChem CID66431979
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccccc2)CCC1C
InChIInChI=1S/C15H23N/c1-12(2)16-11-15(10-9-13(15)3)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyKLTCQJYXODFXGD-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine (CID 66431979) is N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine is CC(C)NCC1(c2ccccc2)CCC1C.
What is the InChIKey of N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine?
The InChIKey is KLTCQJYXODFXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)16-11-15(10-9-13(15)3)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3.
What are the key properties of N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine?
N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine is sourced from PubChem (CID 66431979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).