2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine

C16H29N3 — CID 81249870

IUPAC2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
SMILESCCCN(c1cc(C)ncc1CNC(C)C)C(C)C
InChIInChI=1S/C16H29N3/c1-7-8-19(13(4)5)16-9-14(6)18-11-15(16)10-17-12(2)3/h9,11-13,17H,7-8,10H2,1-6H3
InChIKeyVLIGCCPBPIPTER-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.51
Rot. Bonds7

About 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine

2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine (PubChem CID 81249870) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
PubChem CID81249870
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
SMILESCCCN(c1cc(C)ncc1CNC(C)C)C(C)C
InChIInChI=1S/C16H29N3/c1-7-8-19(13(4)5)16-9-14(6)18-11-15(16)10-17-12(2)3/h9,11-13,17H,7-8,10H2,1-6H3
InChIKeyVLIGCCPBPIPTER-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
CID 81249761
2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine
CID 81249966
N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine
CID 81247572
N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247722
N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247335
N-ethyl-2-methyl-N-(2-methylbutyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247464
N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246806
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
CID 81249414
N-ethyl-5-(ethylaminomethyl)-2-methyl-N-propylpyridin-4-amine
CID 81249866
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246152
2-N-ethyl-2-N-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine (CID 81249870) is 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine is CCCN(c1cc(C)ncc1CNC(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine?
The InChIKey is VLIGCCPBPIPTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-8-19(13(4)5)16-9-14(6)18-11-15(16)10-17-12(2)3/h9,11-13,17H,7-8,10H2,1-6H3.
What are the key properties of 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine?
2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 81249870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).