trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

C15H22N2 — CID 155266287

IUPACtrans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESNCCC1(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c16-9-8-15(6-7-15)11-17-14-10-13(14)12-4-2-1-3-5-12/h1-5,13-14,17H,6-11,16H2/t13-,14+/m0/s1
InChIKeyVYZXWTHUQNXYAT-UONOGXRCSA-N
MW230.35 g/mol
LogP2.26
Rot. Bonds6

About trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 155266287) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID155266287
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Nametrans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESNCCC1(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c16-9-8-15(6-7-15)11-17-14-10-13(14)12-4-2-1-3-5-12/h1-5,13-14,17H,6-11,16H2/t13-,14+/m0/s1
InChIKeyVYZXWTHUQNXYAT-UONOGXRCSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine
CID 104678843
2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
CID 63143291
trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266695
trans-(1S,2R)-N-[[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266639
(1S)-2-phenyl-N-[[1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopropyl]methyl]cyclopropan-1-amine
CID 155266326
N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133644
1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile
CID 146311217
trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 118290144
1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
CID 155266125
4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
CID 155265856
2-[5-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]acetic acid
CID 155266723
4-fluoro-N-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclohexan-1-amine
CID 137422559

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (CID 155266287) is trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is NCCC1(CN[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is VYZXWTHUQNXYAT-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22N2/c16-9-8-15(6-7-15)11-17-14-10-13(14)12-4-2-1-3-5-12/h1-5,13-14,17H,6-11,16H2/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 155266287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).