2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine

C16H29N3 — CID 79056915

IUPAC2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine
SMILESCCNC(Cc1ccccn1)C(C)(C)N(CC)CC
InChIInChI=1S/C16H29N3/c1-6-17-15(13-14-11-9-10-12-18-14)16(4,5)19(7-2)8-3/h9-12,15,17H,6-8,13H2,1-5H3
InChIKeyGZFLBBBNAXHJPF-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.72
Rot. Bonds8

About 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine

2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine (PubChem CID 79056915) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine
PubChem CID79056915
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine
SMILESCCNC(Cc1ccccn1)C(C)(C)N(CC)CC
InChIInChI=1S/C16H29N3/c1-6-17-15(13-14-11-9-10-12-18-14)16(4,5)19(7-2)8-3/h9-12,15,17H,6-8,13H2,1-5H3
InChIKeyGZFLBBBNAXHJPF-UHFFFAOYSA-N
XLogP2.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine
CID 62623524
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
CID 62622811
N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine
CID 79492661
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
3-methoxy-3-methyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 116758123
(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)hydrazine
CID 105215565
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873
N-ethyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60819742
1-[1-(ethylamino)-2-pyridin-2-ylethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070225
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871
N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine
CID 63198618

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine?
The IUPAC name of 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine (CID 79056915) is 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine.
What is the SMILES notation for 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine?
The canonical SMILES for 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine is CCNC(Cc1ccccn1)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine?
The InChIKey is GZFLBBBNAXHJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-17-15(13-14-11-9-10-12-18-14)16(4,5)19(7-2)8-3/h9-12,15,17H,6-8,13H2,1-5H3.
What are the key properties of 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine?
2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,3-N-triethyl-3-methyl-1-pyridin-2-ylbutane-2,3-diamine is sourced from PubChem (CID 79056915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).