2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine

C16H25N3 — CID 63275813

IUPAC2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine
SMILESCN1CCC(CN(C)C2Cc3ccccc3C2N)C1
InChIInChI=1S/C16H25N3/c1-18-8-7-12(10-18)11-19(2)15-9-13-5-3-4-6-14(13)16(15)17/h3-6,12,15-16H,7-11,17H2,1-2H3
InChIKeyQIFWZWVDYVXHLT-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.49
Rot. Bonds3

About 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine

2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 63275813) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID63275813
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine
SMILESCN1CCC(CN(C)C2Cc3ccccc3C2N)C1
InChIInChI=1S/C16H25N3/c1-18-8-7-12(10-18)11-19(2)15-9-13-5-3-4-6-14(13)16(15)17/h3-6,12,15-16H,7-11,17H2,1-2H3
InChIKeyQIFWZWVDYVXHLT-UHFFFAOYSA-N
XLogP1.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79313644
3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
CID 63276081
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 63274527
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
2-N-cyclopentyl-2-N-ethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 43541072
4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275638
N,1-dimethyl-N-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-amine
CID 29185164
6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63727365
2-(2,4-dimethylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 114086669
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79740810
2-N-methyl-2-N-(3-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 61448156
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine (CID 63275813) is 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine is CN1CCC(CN(C)C2Cc3ccccc3C2N)C1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is QIFWZWVDYVXHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-8-7-12(10-18)11-19(2)15-9-13-5-3-4-6-14(13)16(15)17/h3-6,12,15-16H,7-11,17H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine?
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 259.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 63275813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).