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

C19H28N2 — CID 155266695

IUPACtrans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESC[C@@H]1CCCN1CC1(CN[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C19H28N2/c1-15-6-5-11-21(15)14-19(9-10-19)13-20-18-12-17(18)16-7-3-2-4-8-16/h2-4,7-8,15,17-18,20H,5-6,9-14H2,1H3/t15-,17-,18+/m1/s1
InChIKeyHXAOCLQRMOFFHO-NXHRZFHOSA-N
MW284.45 g/mol
LogP3.40
Rot. Bonds6

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

trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 155266695) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID155266695
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Nametrans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESC[C@@H]1CCCN1CC1(CN[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C19H28N2/c1-15-6-5-11-21(15)14-19(9-10-19)13-20-18-12-17(18)16-7-3-2-4-8-16/h2-4,7-8,15,17-18,20H,5-6,9-14H2,1H3/t15-,17-,18+/m1/s1
InChIKeyHXAOCLQRMOFFHO-NXHRZFHOSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (CID 155266695) is trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is C[C@@H]1CCCN1CC1(CN[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is HXAOCLQRMOFFHO-NXHRZFHOSA-N. The full InChI is InChI=1S/C19H28N2/c1-15-6-5-11-21(15)14-19(9-10-19)13-20-18-12-17(18)16-7-3-2-4-8-16/h2-4,7-8,15,17-18,20H,5-6,9-14H2,1H3/t15-,17-,18+/m1/s1.
What are the key properties of trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 155266695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).