N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine

C16H25N — CID 125481673

IUPACN-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine
SMILESCCCCN(C)C[C@H]1Cc2ccccc2[C@H]1C
InChIInChI=1S/C16H25N/c1-4-5-10-17(3)12-15-11-14-8-6-7-9-16(14)13(15)2/h6-9,13,15H,4-5,10-12H2,1-3H3/t13-,15+/m0/s1
InChIKeyKCRXIULQRVVJRI-DZGCQCFKSA-N
MW231.38 g/mol
LogP3.69
Rot. Bonds5

About N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine

N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine (PubChem CID 125481673) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine
PubChem CID125481673
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine
SMILESCCCCN(C)C[C@H]1Cc2ccccc2[C@H]1C
InChIInChI=1S/C16H25N/c1-4-5-10-17(3)12-15-11-14-8-6-7-9-16(14)13(15)2/h6-9,13,15H,4-5,10-12H2,1-3H3/t13-,15+/m0/s1
InChIKeyKCRXIULQRVVJRI-DZGCQCFKSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine (CID 125481673) is N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine is CCCCN(C)C[C@H]1Cc2ccccc2[C@H]1C.
What is the InChIKey of N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine?
The InChIKey is KCRXIULQRVVJRI-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H25N/c1-4-5-10-17(3)12-15-11-14-8-6-7-9-16(14)13(15)2/h6-9,13,15H,4-5,10-12H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine?
N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 125481673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).