N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine

C17H24N4 — CID 175727632

IUPACN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine
SMILESCC(C)N1C=NC(N[C@@H](C)c2ccc3c(c2)CCC3)=NC1
InChIInChI=1S/C17H24N4/c1-12(2)21-10-18-17(19-11-21)20-13(3)15-8-7-14-5-4-6-16(14)9-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyLQTUJLARARERFN-ZDUSSCGKSA-N
MW284.41 g/mol
LogP2.89
Rot. Bonds3

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

N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine (PubChem CID 175727632) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine
PubChem CID175727632
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine
SMILESCC(C)N1C=NC(N[C@@H](C)c2ccc3c(c2)CCC3)=NC1
InChIInChI=1S/C17H24N4/c1-12(2)21-10-18-17(19-11-21)20-13(3)15-8-7-14-5-4-6-16(14)9-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyLQTUJLARARERFN-ZDUSSCGKSA-N
XLogP2.89
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine
CID 175742427
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylpyridin-3-amine
CID 63329546
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine
CID 107649398
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiophen-3-amine
CID 66352791
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402
(1S)-1-cyclopentyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81386200
1-phenyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]tetrazol-5-amine
CID 9030099
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388
(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81391581

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine?
The IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine (CID 175727632) is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine.
What is the SMILES notation for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine?
The canonical SMILES for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine is CC(C)N1C=NC(N[C@@H](C)c2ccc3c(c2)CCC3)=NC1.
What is the InChIKey of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine?
The InChIKey is LQTUJLARARERFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)21-10-18-17(19-11-21)20-13(3)15-8-7-14-5-4-6-16(14)9-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine?
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine is sourced from PubChem (CID 175727632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).