N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine

C16H29N3 — CID 106905796

IUPACN,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine
SMILESCCC(C)CN(C)Cc1cccc(CNC(C)C)n1
InChIInChI=1S/C16H29N3/c1-6-14(4)11-19(5)12-16-9-7-8-15(18-16)10-17-13(2)3/h7-9,13-14,17H,6,10-12H2,1-5H3
InChIKeyVHJVDFYBCLFLTO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.06
Rot. Bonds8

About N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine

N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine (PubChem CID 106905796) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine
PubChem CID106905796
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine
SMILESCCC(C)CN(C)Cc1cccc(CNC(C)C)n1
InChIInChI=1S/C16H29N3/c1-6-14(4)11-19(5)12-16-9-7-8-15(18-16)10-17-13(2)3/h7-9,13-14,17H,6,10-12H2,1-5H3
InChIKeyVHJVDFYBCLFLTO-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine with MolForge

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Related Compounds

6-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243172
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
CID 106907072
4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline
CID 106906209
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906639
N-butan-2-yl-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280724
N,1-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]piperidin-4-amine
CID 106905586
N-[[6-[[methyl(oxan-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906089
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
N,N'-dimethyl-N'-(2-methylbutyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 153390414
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420559
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine (CID 106905796) is N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine is CCC(C)CN(C)Cc1cccc(CNC(C)C)n1.
What is the InChIKey of N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine?
The InChIKey is VHJVDFYBCLFLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-14(4)11-19(5)12-16-9-7-8-15(18-16)10-17-13(2)3/h7-9,13-14,17H,6,10-12H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine?
N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine is sourced from PubChem (CID 106905796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).