1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine

C16H28N2 — CID 114013829

IUPAC1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ncccc1CC)C(C)CCC
InChIInChI=1S/C16H28N2/c1-5-9-13(4)15(17-11-6-2)16-14(7-3)10-8-12-18-16/h8,10,12-13,15,17H,5-7,9,11H2,1-4H3
InChIKeyRWDOXQORUSQIBI-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.12
Rot. Bonds8

About 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine

1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 114013829) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine
PubChem CID114013829
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ncccc1CC)C(C)CCC
InChIInChI=1S/C16H28N2/c1-5-9-13(4)15(17-11-6-2)16-14(7-3)10-8-12-18-16/h8,10,12-13,15,17H,5-7,9,11H2,1-4H3
InChIKeyRWDOXQORUSQIBI-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-amine
CID 107896820
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-ol
CID 107893026
1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
CID 82740601
1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
CID 82741096
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 82730810
2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813
N,2-diethyl-1-(3-ethyl-2-pyridinyl)butan-1-amine
CID 82730100
N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 82741722
3-[2-(3-ethyl-2-pyridinyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 82732814
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733064
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 82741174

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine (CID 114013829) is 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1ncccc1CC)C(C)CCC.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is RWDOXQORUSQIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-9-13(4)15(17-11-6-2)16-14(7-3)10-8-12-18-16/h8,10,12-13,15,17H,5-7,9,11H2,1-4H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine?
1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114013829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).