6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine

C18H28N6 — CID 8998495

IUPAC6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCc1ccc([C@H](NCc2nc(N)nc(N)n2)C(C)C)cc1
InChIInChI=1S/C18H28N6/c1-4-5-6-13-7-9-14(10-8-13)16(12(2)3)21-11-15-22-17(19)24-18(20)23-15/h7-10,12,16,21H,4-6,11H2,1-3H3,(H4,19,20,22,23,24)/t16-/m1/s1
InChIKeyKKRSLTAWKJHZHA-MRXNPFEDSA-N
MW328.46 g/mol
LogP2.87
Rot. Bonds8

About 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine

6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 8998495) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID8998495
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCc1ccc([C@H](NCc2nc(N)nc(N)n2)C(C)C)cc1
InChIInChI=1S/C18H28N6/c1-4-5-6-13-7-9-14(10-8-13)16(12(2)3)21-11-15-22-17(19)24-18(20)23-15/h7-10,12,16,21H,4-6,11H2,1-3H3,(H4,19,20,22,23,24)/t16-/m1/s1
InChIKeyKKRSLTAWKJHZHA-MRXNPFEDSA-N
XLogP2.87
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875
2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272781
6-butyl-1,3,5-triazine-2,4-diamine
CID 18602
4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 8998366
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
2-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]pyrimidin-4-amine
CID 75482572
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine (CID 8998495) is 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine is CCCCc1ccc([C@H](NCc2nc(N)nc(N)n2)C(C)C)cc1.
What is the InChIKey of 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KKRSLTAWKJHZHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N6/c1-4-5-6-13-7-9-14(10-8-13)16(12(2)3)21-11-15-22-17(19)24-18(20)23-15/h7-10,12,16,21H,4-6,11H2,1-3H3,(H4,19,20,22,23,24)/t16-/m1/s1.
What are the key properties of 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 328.46 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8998495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).