N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C19H28N2 — CID 103965535

IUPACN-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCc2c[nH]c3ccccc23)CC(C)(C)C1
InChIInChI=1S/C19H28N2/c1-18(2)9-15(10-19(3,4)13-18)20-11-14-12-21-17-8-6-5-7-16(14)17/h5-8,12,15,20-21H,9-11,13H2,1-4H3
InChIKeyJGVGYIVAAVRODY-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.86
Rot. Bonds3

About N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine

N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103965535) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103965535
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCc2c[nH]c3ccccc23)CC(C)(C)C1
InChIInChI=1S/C19H28N2/c1-18(2)9-15(10-19(3,4)13-18)20-11-14-12-21-17-8-6-5-7-16(14)17/h5-8,12,15,20-21H,9-11,13H2,1-4H3
InChIKeyJGVGYIVAAVRODY-UHFFFAOYSA-N
XLogP4.86
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine
CID 115145493
N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 61221927
N-(1H-indol-3-ylmethyl)-2-methylcyclopropan-1-amine
CID 62396352
N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544239
3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 103965652
N-(1H-indol-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 55062011
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302824
2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide
CID 62330627
N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544334
2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965690
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103965535) is N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(NCc2c[nH]c3ccccc23)CC(C)(C)C1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is JGVGYIVAAVRODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-18(2)9-15(10-19(3,4)13-18)20-11-14-12-21-17-8-6-5-7-16(14)17/h5-8,12,15,20-21H,9-11,13H2,1-4H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103965535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).