3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine

C14H27N3S — CID 60777388

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cnc(C)s1)N(C)C
InChIInChI=1S/C14H27N3S/c1-6-12(7-2)14(17(4)5)10-15-8-13-9-16-11(3)18-13/h9,12,14-15H,6-8,10H2,1-5H3
InChIKeyNHHMGOQNVMSCIR-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.91
Rot. Bonds8

About 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine (PubChem CID 60777388) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
PubChem CID60777388
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cnc(C)s1)N(C)C
InChIInChI=1S/C14H27N3S/c1-6-12(7-2)14(17(4)5)10-15-8-13-9-16-11(3)18-13/h9,12,14-15H,6-8,10H2,1-5H3
InChIKeyNHHMGOQNVMSCIR-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

Analyze 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine with MolForge

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Related Compounds

2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine
CID 43210216
3,3-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 112555963
3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol
CID 111470620
1,1-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 83003423
2-N,2-N,2-trimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 60777467
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-dimethyl-1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 115281055
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propoxyethanamine
CID 106451759
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine (CID 60777388) is 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine is CCC(CC)C(CNCc1cnc(C)s1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine?
The InChIKey is NHHMGOQNVMSCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-6-12(7-2)14(17(4)5)10-15-8-13-9-16-11(3)18-13/h9,12,14-15H,6-8,10H2,1-5H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-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 3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 60777388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).