N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine

C14H27N3S — CID 63837192

IUPACN,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)Cc1scnc1C
InChIInChI=1S/C14H27N3S/c1-6-7-15-9-14(3,4)10-17(5)8-13-12(2)16-11-18-13/h11,15H,6-10H2,1-5H3
InChIKeyBGVFRTYTLGQZCY-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.91
Rot. Bonds8

About N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine

N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine (PubChem CID 63837192) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine
PubChem CID63837192
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)Cc1scnc1C
InChIInChI=1S/C14H27N3S/c1-6-7-15-9-14(3,4)10-17(5)8-13-12(2)16-11-18-13/h11,15H,6-10H2,1-5H3
InChIKeyBGVFRTYTLGQZCY-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]butanal
CID 63836658
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63838095
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
CID 63837706
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534718
N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63838282
4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine
CID 63837883
5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818952
2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol
CID 78998272
N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63839651

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine (CID 63837192) is N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine is CCCNCC(C)(C)CN(C)Cc1scnc1C.
What is the InChIKey of N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine?
The InChIKey is BGVFRTYTLGQZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-6-7-15-9-14(3,4)10-17(5)8-13-12(2)16-11-18-13/h11,15H,6-10H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine?
N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine has a molecular weight of 269.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 63837192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).