N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine

C19H26N2 — CID 122640980

IUPACN-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CNC2)C1
InChIInChI=1S/C19H26N2/c1-2-15(8-14-6-4-3-5-7-14)17-9-18(17)21-16-10-19(11-16)12-20-13-19/h3-8,16-18,20-21H,2,9-13H2,1H3/b15-8+/t17-,18+/m0/s1
InChIKeyRIXOHZNIAOVPOH-OCRUZJPSSA-N
MW282.43 g/mol
LogP3.21
Rot. Bonds5

About N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine

N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine (PubChem CID 122640980) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
PubChem CID122640980
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CNC2)C1
InChIInChI=1S/C19H26N2/c1-2-15(8-14-6-4-3-5-7-14)17-9-18(17)21-16-10-19(11-16)12-20-13-19/h3-8,16-18,20-21H,2,9-13H2,1H3/b15-8+/t17-,18+/m0/s1
InChIKeyRIXOHZNIAOVPOH-OCRUZJPSSA-N
XLogP3.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(oxetan-3-yl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
CID 122648973
2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclopropyl)amino)-2-azaspiro[3.3]heptan-2-yl)ethanol
CID 134468925
(2R)-N-(cyclopropylmethyl)-1-phenylpropan-2-amine
CID 53707349
2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 122640964
4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
CID 122649635
2-(2,2-difluoroethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
CID 122649863
(2S)-1-N-[(2R)-3-methyl-1-(methylamino)butan-2-yl]-2-N-(4-phenylbutyl)pentane-1,2-diamine
CID 24792587
(2S)-3-methyl-2-N-[(1-phenylcyclopropyl)methyl]pentane-1,2-diamine
CID 44143134
2-methylsulfonyl-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
CID 156013681
trans-(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 156015693
1-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 156017190
N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]piperidin-4-amine
CID 156019377

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine (CID 122640980) is N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine is CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CNC2)C1.
What is the InChIKey of N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is RIXOHZNIAOVPOH-OCRUZJPSSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-15(8-14-6-4-3-5-7-14)17-9-18(17)21-16-10-19(11-16)12-20-13-19/h3-8,16-18,20-21H,2,9-13H2,1H3/b15-8+/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine?
N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 282.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 122640980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).