N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine

C19H27N — CID 105052510

IUPACN-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1c1ccccc1)C1C2CCCC21
InChIInChI=1S/C19H27N/c1-2-11-20-19(18-14-9-6-10-15(14)18)17-12-16(17)13-7-4-3-5-8-13/h3-5,7-8,14-20H,2,6,9-12H2,1H3
InChIKeyJFLPLHQHIKERTM-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.20
Rot. Bonds6

About N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine

N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 105052510) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID105052510
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1c1ccccc1)C1C2CCCC21
InChIInChI=1S/C19H27N/c1-2-11-20-19(18-14-9-6-10-15(14)18)17-12-16(17)13-7-4-3-5-8-13/h3-5,7-8,14-20H,2,6,9-12H2,1H3
InChIKeyJFLPLHQHIKERTM-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-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052714
3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine
CID 116518288
N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517434
N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106445339
1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517534
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-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
[cyclobutyl-(2-phenylcyclopropyl)methyl]hydrazine
CID 105224591

Frequently Asked Questions

What is the IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 105052510) is N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(C1CC1c1ccccc1)C1C2CCCC21.
What is the InChIKey of N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is JFLPLHQHIKERTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-11-20-19(18-14-9-6-10-15(14)18)17-12-16(17)13-7-4-3-5-8-13/h3-5,7-8,14-20H,2,6,9-12H2,1H3.
What are the key properties of N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[6-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-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 105052510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).