1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine

C17H25N3 — CID 120972525

IUPAC1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCC(C)[C@@H]1C[C@@H](CNC2=NCCN2C)c2ccccc21
InChIInChI=1S/C17H25N3/c1-12(2)16-10-13(14-6-4-5-7-15(14)16)11-19-17-18-8-9-20(17)3/h4-7,12-13,16H,8-11H2,1-3H3,(H,18,19)/t13-,16-/m0/s1
InChIKeyPWPWMQAGHLIMCY-BBRMVZONSA-N
MW271.41 g/mol
LogP2.80
Rot. Bonds3

About 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120972525) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120972525
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCC(C)[C@@H]1C[C@@H](CNC2=NCCN2C)c2ccccc21
InChIInChI=1S/C17H25N3/c1-12(2)16-10-13(14-6-4-5-7-15(14)16)11-19-17-18-8-9-20(17)3/h4-7,12-13,16H,8-11H2,1-3H3,(H,18,19)/t13-,16-/m0/s1
InChIKeyPWPWMQAGHLIMCY-BBRMVZONSA-N
XLogP2.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine (CID 120972525) is 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine is CC(C)[C@@H]1C[C@@H](CNC2=NCCN2C)c2ccccc21.
What is the InChIKey of 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is PWPWMQAGHLIMCY-BBRMVZONSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)16-10-13(14-6-4-5-7-15(14)16)11-19-17-18-8-9-20(17)3/h4-7,12-13,16H,8-11H2,1-3H3,(H,18,19)/t13-,16-/m0/s1.
What are the key properties of 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120972525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).