N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine

C23H40N2 — CID 144903300

IUPACN-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine
SMILESC=CCC1(CNC2CC2)CCN(/C(=C\C)C2CCC(CC)CC2)CC1
InChIInChI=1S/C23H40N2/c1-4-13-23(18-24-21-11-12-21)14-16-25(17-15-23)22(6-3)20-9-7-19(5-2)8-10-20/h4,6,19-21,24H,1,5,7-18H2,2-3H3/b22-6-
InChIKeyUHMPZMWNEMZAEM-HCDFXORVSA-N
MW344.59 g/mol
LogP5.52
Rot. Bonds8

About N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine

N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine (PubChem CID 144903300) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine
PubChem CID144903300
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC NameN-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine
SMILESC=CCC1(CNC2CC2)CCN(/C(=C\C)C2CCC(CC)CC2)CC1
InChIInChI=1S/C23H40N2/c1-4-13-23(18-24-21-11-12-21)14-16-25(17-15-23)22(6-3)20-9-7-19(5-2)8-10-20/h4,6,19-21,24H,1,5,7-18H2,2-3H3/b22-6-
InChIKeyUHMPZMWNEMZAEM-HCDFXORVSA-N
XLogP5.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

4-ethyl-1,1-bis(prop-2-enyl)cyclohexane
CID 163799692
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65495614
1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 65116415
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
4-ethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267028
ethenol;ethylcyclopropane
CID 18331953
N-[4-(4-ethylcyclohexyl)pent-3-enyl]cyclopropanamine
CID 79598240
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-(2-but-3-enoxyethyl)-4-ethylcyclohexan-1-amine
CID 103854437
N-but-3-en-2-yl-4-ethylcyclohexan-1-amine
CID 115727829

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine (CID 144903300) is N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine is C=CCC1(CNC2CC2)CCN(/C(=C\C)C2CCC(CC)CC2)CC1.
What is the InChIKey of N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is UHMPZMWNEMZAEM-HCDFXORVSA-N. The full InChI is InChI=1S/C23H40N2/c1-4-13-23(18-24-21-11-12-21)14-16-25(17-15-23)22(6-3)20-9-7-19(5-2)8-10-20/h4,6,19-21,24H,1,5,7-18H2,2-3H3/b22-6-.
What are the key properties of N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine?
N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 344.59 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(Z)-1-(4-ethylcyclohexyl)prop-1-enyl]-4-prop-2-enylpiperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 144903300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).