N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H27N3O — CID 82754773

IUPACN,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1nc(N(C)C2CCOC2C)ccc1CNC(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)17-10-14-6-7-16(18-12(14)3)19(5)15-8-9-20-13(15)4/h6-7,11,13,15,17H,8-10H2,1-5H3
InChIKeyDQZQCMIWQOSMNR-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.50
Rot. Bonds5

About N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 82754773) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID82754773
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1nc(N(C)C2CCOC2C)ccc1CNC(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)17-10-14-6-7-16(18-12(14)3)19(5)15-8-9-20-13(15)4/h6-7,11,13,15,17H,8-10H2,1-5H3
InChIKeyDQZQCMIWQOSMNR-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 82754773) is N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is Cc1nc(N(C)C2CCOC2C)ccc1CNC(C)C.
What is the InChIKey of N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is DQZQCMIWQOSMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)17-10-14-6-7-16(18-12(14)3)19(5)15-8-9-20-13(15)4/h6-7,11,13,15,17H,8-10H2,1-5H3.
What are the key properties of N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 82754773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).