N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine

C15H23N — CID 124705421

IUPACN-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine
SMILESCCCCCNC[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H23N/c1-2-3-7-10-16-12-14-11-15(14)13-8-5-4-6-9-13/h4-6,8-9,14-16H,2-3,7,10-12H2,1H3/t14-,15-/m0/s1
InChIKeyWEJDLIVHIJVUKY-GJZGRUSLSA-N
MW217.36 g/mol
LogP3.57
Rot. Bonds7

About N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine

N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine (PubChem CID 124705421) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine
PubChem CID124705421
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine
SMILESCCCCCNC[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H23N/c1-2-3-7-10-16-12-14-11-15(14)13-8-5-4-6-9-13/h4-6,8-9,14-16H,2-3,7,10-12H2,1H3/t14-,15-/m0/s1
InChIKeyWEJDLIVHIJVUKY-GJZGRUSLSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
N-[(2-phenylcyclopropyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115875952
3-[(2-phenylcyclopropyl)methylamino]propanamide
CID 115919599
N-ethyl-N'-methyl-N'-[(2-phenylcyclopropyl)methyl]ethane-1,2-diamine
CID 113409027
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
N-[[2-(4-nitrophenyl)cyclopropyl]methyl]propan-1-amine
CID 62703868
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine
CID 63208002
N-ethyl-N'-[[2-[(heptylamino)methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 71166362
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
CID 107105216
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194
N-[[2-(4-phenylmethoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62703658

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine?
The IUPAC name of N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine (CID 124705421) is N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine?
The canonical SMILES for N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine is CCCCCNC[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine?
The InChIKey is WEJDLIVHIJVUKY-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H23N/c1-2-3-7-10-16-12-14-11-15(14)13-8-5-4-6-9-13/h4-6,8-9,14-16H,2-3,7,10-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine?
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine is sourced from PubChem (CID 124705421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).