N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine

C16H22N4 — CID 62283788

IUPACN-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCC(C)NCc1cccnc1N(C)Cc1ccccn1
InChIInChI=1S/C16H22N4/c1-13(2)19-11-14-7-6-10-18-16(14)20(3)12-15-8-4-5-9-17-15/h4-10,13,19H,11-12H2,1-3H3
InChIKeyJZKCYJZXNQEOGS-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.61
Rot. Bonds6

About N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine

N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 62283788) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID62283788
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCC(C)NCc1cccnc1N(C)Cc1ccccn1
InChIInChI=1S/C16H22N4/c1-13(2)19-11-14-7-6-10-18-16(14)20(3)12-15-8-4-5-9-17-15/h4-10,13,19H,11-12H2,1-3H3
InChIKeyJZKCYJZXNQEOGS-UHFFFAOYSA-N
XLogP2.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280566
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
N,2-dimethyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 81249931
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279942
N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278910
N-(3-methoxypropyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63007756
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63274229
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 105074234

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 62283788) is N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine is CC(C)NCc1cccnc1N(C)Cc1ccccn1.
What is the InChIKey of N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is JZKCYJZXNQEOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(2)19-11-14-7-6-10-18-16(14)20(3)12-15-8-4-5-9-17-15/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?
N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62283788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).