N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

C16H29N3 — CID 105073184

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC(C)NCc1ccncc1N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H29N3/c1-12(2)18-10-14-8-9-17-11-15(14)19(7)13(3)16(4,5)6/h8-9,11-13,18H,10H2,1-7H3
InChIKeyVELPEYVSRSGYEM-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.45
Rot. Bonds5

About N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (PubChem CID 105073184) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
PubChem CID105073184
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC(C)NCc1ccncc1N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H29N3/c1-12(2)18-10-14-8-9-17-11-15(14)19(7)13(3)16(4,5)6/h8-9,11-13,18H,10H2,1-7H3
InChIKeyVELPEYVSRSGYEM-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine
CID 105074309
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837
N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073614
N-methyl-4-(methylaminomethyl)-N-propan-2-ylpyridin-3-amine
CID 105072723
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073225
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62284058
N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 105074392
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (CID 105073184) is N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is CC(C)NCc1ccncc1N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The InChIKey is VELPEYVSRSGYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)18-10-14-8-9-17-11-15(14)19(7)13(3)16(4,5)6/h8-9,11-13,18H,10H2,1-7H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine has a molecular weight of 263.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105073184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).