N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine

C16H29N3 — CID 62289015

IUPACN-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCC(C)CNCc1cc(N(C)CC(C)(C)C)ccn1
InChIInChI=1S/C16H29N3/c1-13(2)10-17-11-14-9-15(7-8-18-14)19(6)12-16(3,4)5/h7-9,13,17H,10-12H2,1-6H3
InChIKeyJFGKSLYZGTWPAS-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.31
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine

N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine (PubChem CID 62289015) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
PubChem CID62289015
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCC(C)CNCc1cc(N(C)CC(C)(C)C)ccn1
InChIInChI=1S/C16H29N3/c1-13(2)10-17-11-14-9-15(7-8-18-14)19(6)12-16(3,4)5/h7-9,13,17H,10-12H2,1-6H3
InChIKeyJFGKSLYZGTWPAS-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine (CID 62289015) is N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine is CC(C)CNCc1cc(N(C)CC(C)(C)C)ccn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The InChIKey is JFGKSLYZGTWPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13(2)10-17-11-14-9-15(7-8-18-14)19(6)12-16(3,4)5/h7-9,13,17H,10-12H2,1-6H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 62289015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).