(1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

C16H24N2 — CID 155265613

IUPAC(1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCCNCC1(CN[C@H]2CC2c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-2-17-11-16(8-9-16)12-18-15-10-14(15)13-6-4-3-5-7-13/h3-7,14-15,17-18H,2,8-12H2,1H3/t14?,15-/m0/s1
InChIKeyQXVVAFGRTXMVRQ-LOACHALJSA-N
MW244.38 g/mol
LogP2.52
Rot. Bonds7

About (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 155265613) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID155265613
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
SMILESCCNCC1(CN[C@H]2CC2c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-2-17-11-16(8-9-16)12-18-15-10-14(15)13-6-4-3-5-7-13/h3-7,14-15,17-18H,2,8-12H2,1H3/t14?,15-/m0/s1
InChIKeyQXVVAFGRTXMVRQ-LOACHALJSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-N-[[1-(ethylaminomethyl)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 (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine (CID 155265613) is (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is CCNCC1(CN[C@H]2CC2c2ccccc2)CC1.
What is the InChIKey of (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is QXVVAFGRTXMVRQ-LOACHALJSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-17-11-16(8-9-16)12-18-15-10-14(15)13-6-4-3-5-7-13/h3-7,14-15,17-18H,2,8-12H2,1H3/t14?,15-/m0/s1.
What are the key properties of (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-(ethylaminomethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 155265613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).