N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine

C17H26N2 — CID 63133644

IUPACN-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCCC1(CNC2CC2c2ccccc2)CCCNC1
InChIInChI=1S/C17H26N2/c1-2-17(9-6-10-18-12-17)13-19-16-11-15(16)14-7-4-3-5-8-14/h3-5,7-8,15-16,18-19H,2,6,9-13H2,1H3
InChIKeyNGCCXZVTFCBOJQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.91
Rot. Bonds5

About N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine

N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 63133644) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID63133644
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCCC1(CNC2CC2c2ccccc2)CCCNC1
InChIInChI=1S/C17H26N2/c1-2-17(9-6-10-18-12-17)13-19-16-11-15(16)14-7-4-3-5-8-14/h3-5,7-8,15-16,18-19H,2,6,9-13H2,1H3
InChIKeyNGCCXZVTFCBOJQ-UHFFFAOYSA-N
XLogP2.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
CID 63143291
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133645
trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 118290144
trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266287
N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 175197217
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-2-phenylcyclopropan-1-amine
CID 104678843
N-[(3-ethylpiperidin-3-yl)methyl]propan-2-amine
CID 63133337
trans-(1S,2R)-N-[[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266639
trans-(1S,2R)-N-[[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266695
1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropane-1-carbonitrile
CID 146311217
4-fluoro-N-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclohexan-1-amine
CID 137422559
trans-(1S,2R)-N-[[1-[(imidazo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266024

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine (CID 63133644) is N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine is CCC1(CNC2CC2c2ccccc2)CCCNC1.
What is the InChIKey of N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is NGCCXZVTFCBOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-17(9-6-10-18-12-17)13-19-16-11-15(16)14-7-4-3-5-8-14/h3-5,7-8,15-16,18-19H,2,6,9-13H2,1H3.
What are the key properties of N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine?
N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 63133644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).