[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine

C23H35N3 — CID 134563655

IUPAC[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
SMILESCC(C)C1CCC(N2CCC(n3cc(CN)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H35N3/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24)22-5-3-4-6-23(22)26/h3-6,16-18,20-21H,7-15,24H2,1-2H3
InChIKeyIPYIZXVSNKMLOX-UHFFFAOYSA-N
MW353.55 g/mol
LogP4.95
Rot. Bonds4

About [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine

[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine (PubChem CID 134563655) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
PubChem CID134563655
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Name[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
SMILESCC(C)C1CCC(N2CCC(n3cc(CN)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H35N3/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24)22-5-3-4-6-23(22)26/h3-6,16-18,20-21H,7-15,24H2,1-2H3
InChIKeyIPYIZXVSNKMLOX-UHFFFAOYSA-N
XLogP4.95
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
(-)-Agroclavine
CID 73484
Iprindole
CID 21722

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine?
The IUPAC name of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine (CID 134563655) is [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine.
What is the SMILES notation for [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine?
The canonical SMILES for [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine is CC(C)C1CCC(N2CCC(n3cc(CN)c4ccccc43)CC2)CC1.
What is the InChIKey of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine?
The InChIKey is IPYIZXVSNKMLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24)22-5-3-4-6-23(22)26/h3-6,16-18,20-21H,7-15,24H2,1-2H3.
What are the key properties of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine?
[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine has a molecular weight of 353.55 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine is sourced from PubChem (CID 134563655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).