1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine

C15H31N3S — CID 106351563

IUPAC1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC1=NC(C(C)C)CCS1
InChIInChI=1S/C15H31N3S/c1-11(2)9-13(10-18(5)6)16-15-17-14(12(3)4)7-8-19-15/h11-14H,7-10H2,1-6H3,(H,16,17)
InChIKeyBWLPVESQKMFCRW-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.07
Rot. Bonds6

About 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine (PubChem CID 106351563) has the molecular formula C15H31N3S and a molecular weight of 285.50 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine
PubChem CID106351563
Molecular FormulaC15H31N3S
Molecular Weight285.50 g/mol
Exact Mass285.22
IUPAC Name1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC1=NC(C(C)C)CCS1
InChIInChI=1S/C15H31N3S/c1-11(2)9-13(10-18(5)6)16-15-17-14(12(3)4)7-8-19-15/h11-14H,7-10H2,1-6H3,(H,16,17)
InChIKeyBWLPVESQKMFCRW-UHFFFAOYSA-N
XLogP3.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine (CID 106351563) is 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine is CC(C)CC(CN(C)C)NC1=NC(C(C)C)CCS1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine?
The InChIKey is BWLPVESQKMFCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3S/c1-11(2)9-13(10-18(5)6)16-15-17-14(12(3)4)7-8-19-15/h11-14H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine has a molecular weight of 285.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 106351563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).