2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine

C17H26N2 — CID 107236106

IUPAC2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
SMILESCC(CNCc1cn(C)c2ccccc12)C(C)(C)C
InChIInChI=1S/C17H26N2/c1-13(17(2,3)4)10-18-11-14-12-19(5)16-9-7-6-8-15(14)16/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyIAJDPZUEVMRXFU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.95
Rot. Bonds4

About 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine

2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine (PubChem CID 107236106) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
PubChem CID107236106
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
SMILESCC(CNCc1cn(C)c2ccccc12)C(C)(C)C
InChIInChI=1S/C17H26N2/c1-13(17(2,3)4)10-18-11-14-12-19(5)16-9-7-6-8-15(14)16/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyIAJDPZUEVMRXFU-UHFFFAOYSA-N
XLogP3.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252487
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 107235663
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 106145375
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
CID 107235802
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine (CID 107236106) is 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine is CC(CNCc1cn(C)c2ccccc12)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine?
The InChIKey is IAJDPZUEVMRXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(17(2,3)4)10-18-11-14-12-19(5)16-9-7-6-8-15(14)16/h6-9,12-13,18H,10-11H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine?
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 107236106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).