2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine

C16H29N3 — CID 79063909

IUPAC2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1cnccc1C)C(C)(CC)N(C)C
InChIInChI=1S/C16H29N3/c1-7-10-18-15(16(4,8-2)19(5)6)14-12-17-11-9-13(14)3/h9,11-12,15,18H,7-8,10H2,1-6H3
InChIKeyXIDJEPYYBIPDDF-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds7

About 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine

2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine (PubChem CID 79063909) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
PubChem CID79063909
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1cnccc1C)C(C)(CC)N(C)C
InChIInChI=1S/C16H29N3/c1-7-10-18-15(16(4,8-2)19(5)6)14-12-17-11-9-13(14)3/h9,11-12,15,18H,7-8,10H2,1-6H3
InChIKeyXIDJEPYYBIPDDF-UHFFFAOYSA-N
XLogP3.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine with MolForge

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Related Compounds

2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116759381
1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063546
1-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 104738429
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
CID 79057289
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
1-N,2-N,2-N,2-tetramethyl-1-(4-methyl-3-pyridinyl)propane-1,2-diamine
CID 79053905
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79064609
4-(4-methyl-3-pyridinyl)-N-propylpentan-2-amine
CID 66272751
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058
N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878534

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine (CID 79063909) is 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine is CCCNC(c1cnccc1C)C(C)(CC)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine?
The InChIKey is XIDJEPYYBIPDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-10-18-15(16(4,8-2)19(5)6)14-12-17-11-9-13(14)3/h9,11-12,15,18H,7-8,10H2,1-6H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine?
2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79063909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).