N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine

C16H27N3O — CID 63707826

IUPACN-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)CC2CCOCC2)ccn1
InChIInChI=1S/C16H27N3O/c1-13(2)18-11-15-10-16(4-7-17-15)19(3)12-14-5-8-20-9-6-14/h4,7,10,13-14,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyZKCWUXGCQBHGGB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine

N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 63707826) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID63707826
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)CC2CCOCC2)ccn1
InChIInChI=1S/C16H27N3O/c1-13(2)18-11-15-10-16(4-7-17-15)19(3)12-14-5-8-20-9-6-14/h4,7,10,13-14,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyZKCWUXGCQBHGGB-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754235
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63865437
2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 113367846
N-methyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63711740
N,3-dimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63713320
N-(cyclopentylmethyl)-2-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 63655101
N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 63656716
N-(cyclopropylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 55059107
N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62280879
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287320
N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63706151
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906639

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 63707826) is N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NCc1cc(N(C)CC2CCOCC2)ccn1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is ZKCWUXGCQBHGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)18-11-15-10-16(4-7-17-15)19(3)12-14-5-8-20-9-6-14/h4,7,10,13-14,18H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 63707826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).