N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine

C16H25N3 — CID 115252487

IUPACN'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-12(2)13(8-17)9-18-10-14-11-19(3)16-7-5-4-6-15(14)16/h4-7,11-13,18H,8-10,17H2,1-3H3
InChIKeyPFYTVTANJMQGIM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.50
Rot. Bonds6

About N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine

N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252487) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252487
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-12(2)13(8-17)9-18-10-14-11-19(3)16-7-5-4-6-15(14)16/h4-7,11-13,18H,8-10,17H2,1-3H3
InChIKeyPFYTVTANJMQGIM-UHFFFAOYSA-N
XLogP2.50
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
2-methyl-N-[(1-methylindol-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 107235663
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
CID 166321610
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
N-[(1-methylcyclopentyl)methyl]-1-(1-methylindol-3-yl)methanamine
CID 107235706
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (CID 115252487) is N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNCc1cn(C)c2ccccc12.
What is the InChIKey of N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is PFYTVTANJMQGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)13(8-17)9-18-10-14-11-19(3)16-7-5-4-6-15(14)16/h4-7,11-13,18H,8-10,17H2,1-3H3.
What are the key properties of N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).