N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine

C16H29N3 — CID 81247722

IUPACN,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCCC(C)(C)N(C)c1cc(C)ncc1CNC(C)C
InChIInChI=1S/C16H29N3/c1-8-16(5,6)19(7)15-9-13(4)18-11-14(15)10-17-12(2)3/h9,11-12,17H,8,10H2,1-7H3
InChIKeyYJCZGYXRGXBGTO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.51
Rot. Bonds6

About N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine

N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81247722) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81247722
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCCC(C)(C)N(C)c1cc(C)ncc1CNC(C)C
InChIInChI=1S/C16H29N3/c1-8-16(5,6)19(7)15-9-13(4)18-11-14(15)10-17-12(2)3/h9,11-12,17H,8,10H2,1-7H3
InChIKeyYJCZGYXRGXBGTO-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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
2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
CID 81249870
N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine
CID 81247572
5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926548
N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247335
N-methyl-N-(2-methylbutan-2-yl)-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 63966537
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248386
N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81250071
N,2-dimethyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 81249931
N,2-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754948
N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81249618

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81247722) is N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is CCC(C)(C)N(C)c1cc(C)ncc1CNC(C)C.
What is the InChIKey of N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is YJCZGYXRGXBGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-8-16(5,6)19(7)15-9-13(4)18-11-14(15)10-17-12(2)3/h9,11-12,17H,8,10H2,1-7H3.
What are the key properties of N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81247722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).