N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine

C15H26N2 — CID 114620815

IUPACN-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine
SMILESC1=CC(N2CCCCC2CNC2CC2)CCC1
InChIInChI=1S/C15H26N2/c1-2-6-14(7-3-1)17-11-5-4-8-15(17)12-16-13-9-10-13/h2,6,13-16H,1,3-5,7-12H2
InChIKeyWDYKKPGPIGQCSI-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.70
Rot. Bonds4

About N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine

N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine (PubChem CID 114620815) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine
PubChem CID114620815
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine
SMILESC1=CC(N2CCCCC2CNC2CC2)CCC1
InChIInChI=1S/C15H26N2/c1-2-6-14(7-3-1)17-11-5-4-8-15(17)12-16-13-9-10-13/h2,6,13-16H,1,3-5,7-12H2
InChIKeyWDYKKPGPIGQCSI-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine 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

N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114620816
4-ethyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
CID 170221751
N-[[1-(oxan-4-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 63936106
1-cyclohex-2-en-1-yl-2-methylpyrrolidine
CID 126995474
N-[[1-(cyclopropylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62580411
1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile
CID 114620002
1-cyclohex-2-en-1-yl-2-methylpiperidin-3-amine
CID 130835288
methyl (2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxylate
CID 95628939
N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 20842676
(1-cyclohex-2-en-1-yl-6-methylpiperidin-2-yl)methanamine
CID 114620565
3-[(2S)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 124606532
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
CID 63878433

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine (CID 114620815) is N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine is C1=CC(N2CCCCC2CNC2CC2)CCC1.
What is the InChIKey of N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine?
The InChIKey is WDYKKPGPIGQCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-6-14(7-3-1)17-11-5-4-8-15(17)12-16-13-9-10-13/h2,6,13-16H,1,3-5,7-12H2.
What are the key properties of N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine?
N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine has a molecular weight of 234.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114620815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).