methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine

C25H36N4 — CID 161129194

IUPACmethanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine
SMILESCN.CNC1(c2[nH]c3ccccc3c2C)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C24H31N3.CH5N/c1-18-20-12-8-9-13-21(20)26-22(18)23(25-2)14-16-24(17-15-23,27(3)4)19-10-6-5-7-11-19;1-2/h5-13,25-26H,14-17H2,1-4H3;2H2,1H3
InChIKeyULYOTGOKLABOOD-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.50
Rot. Bonds4

About methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine

methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine (PubChem CID 161129194) has the molecular formula C25H36N4 and a molecular weight of 392.59 g/mol. Its IUPAC name is methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine.

Molecular Properties

Compound Namemethanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine
PubChem CID161129194
Molecular FormulaC25H36N4
Molecular Weight392.59 g/mol
Exact Mass392.29
IUPAC Namemethanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine
SMILESCN.CNC1(c2[nH]c3ccccc3c2C)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C24H31N3.CH5N/c1-18-20-12-8-9-13-21(20)26-22(18)23(25-2)14-16-24(17-15-23,27(3)4)19-10-6-5-7-11-19;1-2/h5-13,25-26H,14-17H2,1-4H3;2H2,1H3
InChIKeyULYOTGOKLABOOD-UHFFFAOYSA-N
XLogP4.50
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine?
The IUPAC name of methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine (CID 161129194) is methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine.
What is the SMILES notation for methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine?
The canonical SMILES for methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine is CN.CNC1(c2[nH]c3ccccc3c2C)CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine?
The InChIKey is ULYOTGOKLABOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3.CH5N/c1-18-20-12-8-9-13-21(20)26-22(18)23(25-2)14-16-24(17-15-23,27(3)4)19-10-6-5-7-11-19;1-2/h5-13,25-26H,14-17H2,1-4H3;2H2,1H3.
What are the key properties of methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine?
methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine has a molecular weight of 392.59 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-N,4-N,4-N-trimethyl-1-(3-methyl-1H-indol-2-yl)-4-phenylcyclohexane-1,4-diamine is sourced from PubChem (CID 161129194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).