2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine

C16H29N3 — CID 112649945

IUPAC2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine
SMILESCCCN(Cc1ncccc1C)C(CC)(CC)CN
InChIInChI=1S/C16H29N3/c1-5-11-19(16(6-2,7-3)13-17)12-15-14(4)9-8-10-18-15/h8-10H,5-7,11-13,17H2,1-4H3
InChIKeyRRONNZYTKAJBDP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.12
Rot. Bonds8

About 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine

2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine (PubChem CID 112649945) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine
PubChem CID112649945
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine
SMILESCCCN(Cc1ncccc1C)C(CC)(CC)CN
InChIInChI=1S/C16H29N3/c1-5-11-19(16(6-2,7-3)13-17)12-15-14(4)9-8-10-18-15/h8-10H,5-7,11-13,17H2,1-4H3
InChIKeyRRONNZYTKAJBDP-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
2-N-[(3,5-dimethylphenyl)methyl]-2-ethyl-2-N-propylbutane-1,2-diamine
CID 63481010
4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 115982035
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 154305051
2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine
CID 112649746
2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine
CID 62698957
N-[(3-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 112650950
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanethioamide
CID 115981947
azane;2-butyl-3-methylpyridine
CID 175305988
2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
CID 62008003

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine (CID 112649945) is 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine is CCCN(Cc1ncccc1C)C(CC)(CC)CN.
What is the InChIKey of 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine?
The InChIKey is RRONNZYTKAJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-11-19(16(6-2,7-3)13-17)12-15-14(4)9-8-10-18-15/h8-10H,5-7,11-13,17H2,1-4H3.
What are the key properties of 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine?
2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 112649945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).