N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine

C19H27N — CID 105052478

IUPACN-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC2CC2C1)C1CC1c1ccccc1
InChIInChI=1S/C19H27N/c1-2-8-20-19(16-10-14-9-15(14)11-16)18-12-17(18)13-6-4-3-5-7-13/h3-7,14-20H,2,8-12H2,1H3
InChIKeyREXLGCPELNHHLU-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.20
Rot. Bonds6

About N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine

N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 105052478) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID105052478
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC2CC2C1)C1CC1c1ccccc1
InChIInChI=1S/C19H27N/c1-2-8-20-19(16-10-14-9-15(14)11-16)18-12-17(18)13-6-4-3-5-7-13/h3-7,14-20H,2,8-12H2,1H3
InChIKeyREXLGCPELNHHLU-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052714
N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052510
N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106445339
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517434
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
2-(2-phenylcyclopropyl)-N-propylbutan-1-amine
CID 116518006
N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106693341
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216465

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 105052478) is N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(C1CC2CC2C1)C1CC1c1ccccc1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is REXLGCPELNHHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-8-20-19(16-10-14-9-15(14)11-16)18-12-17(18)13-6-4-3-5-7-13/h3-7,14-20H,2,8-12H2,1H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 105052478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).