1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine

C19H34N2 — CID 105014705

IUPAC1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(CC)cn1)CC(C)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-7-11-20-18(12-15(3)19(4,5)6)13-17-10-9-16(8-2)14-21-17/h9-10,14-15,18,20H,7-8,11-13H2,1-6H3
InChIKeyXDRXCLAZJODZKE-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.63
Rot. Bonds8

About 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine

1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine (PubChem CID 105014705) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine
PubChem CID105014705
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(CC)cn1)CC(C)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-7-11-20-18(12-15(3)19(4,5)6)13-17-10-9-16(8-2)14-21-17/h9-10,14-15,18,20H,7-8,11-13H2,1-6H3
InChIKeyXDRXCLAZJODZKE-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105168927
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
1-(5-ethyl-2-pyridinyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105169027
1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79954795
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
N-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889
2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79748096
N-[1-(3-ethylcyclopentyl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 79740447
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 115841192
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
N-[2-(5-ethyl-2-pyridinyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105168926

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine (CID 105014705) is 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine is CCCNC(Cc1ccc(CC)cn1)CC(C)C(C)(C)C.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine?
The InChIKey is XDRXCLAZJODZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-11-20-18(12-15(3)19(4,5)6)13-17-10-9-16(8-2)14-21-17/h9-10,14-15,18,20H,7-8,11-13H2,1-6H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine?
1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine has a molecular weight of 290.50 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine is sourced from PubChem (CID 105014705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).