N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

C25H39N3 — CID 142579605

IUPACN-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCCN(Cc1cn(CC2CCCCC2)c2ccccc12)CC1CCN(C)CC1
InChIInChI=1S/C25H39N3/c1-3-27(17-22-13-15-26(2)16-14-22)19-23-20-28(18-21-9-5-4-6-10-21)25-12-8-7-11-24(23)25/h7-8,11-12,20-22H,3-6,9-10,13-19H2,1-2H3
InChIKeyCNFBKTKPBCBPJS-UHFFFAOYSA-N
MW381.61 g/mol
LogP5.39
Rot. Bonds7

About N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 142579605) has the molecular formula C25H39N3 and a molecular weight of 381.61 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID142579605
Molecular FormulaC25H39N3
Molecular Weight381.61 g/mol
Exact Mass381.31
IUPAC NameN-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCCN(Cc1cn(CC2CCCCC2)c2ccccc12)CC1CCN(C)CC1
InChIInChI=1S/C25H39N3/c1-3-27(17-22-13-15-26(2)16-14-22)19-23-20-28(18-21-9-5-4-6-10-21)25-12-8-7-11-24(23)25/h7-8,11-12,20-22H,3-6,9-10,13-19H2,1-2H3
InChIKeyCNFBKTKPBCBPJS-UHFFFAOYSA-N
XLogP5.39
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.61
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 142579605) is N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is CCN(Cc1cn(CC2CCCCC2)c2ccccc12)CC1CCN(C)CC1.
What is the InChIKey of N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is CNFBKTKPBCBPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3/c1-3-27(17-22-13-15-26(2)16-14-22)19-23-20-28(18-21-9-5-4-6-10-21)25-12-8-7-11-24(23)25/h7-8,11-12,20-22H,3-6,9-10,13-19H2,1-2H3.
What are the key properties of N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 381.61 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 142579605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).