N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine

C17H29N3O — CID 81249404

IUPACN,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine
SMILESCc1cc(N(C)CC2CCCO2)c(CNCC(C)C)cn1
InChIInChI=1S/C17H29N3O/c1-13(2)9-18-10-15-11-19-14(3)8-17(15)20(4)12-16-6-5-7-21-16/h8,11,13,16,18H,5-7,9-10,12H2,1-4H3
InChIKeyCTDXTKCVHHUDCW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.75
Rot. Bonds7

About N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine

N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine (PubChem CID 81249404) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine
PubChem CID81249404
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine
SMILESCc1cc(N(C)CC2CCCO2)c(CNCC(C)C)cn1
InChIInChI=1S/C17H29N3O/c1-13(2)9-18-10-15-11-19-14(3)8-17(15)20(4)12-16-6-5-7-21-16/h8,11,13,16,18H,5-7,9-10,12H2,1-4H3
InChIKeyCTDXTKCVHHUDCW-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060808
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81254130
N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81249270
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81247485
6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81233414
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
5-bromo-N-methyl-N-(oxan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 61432414
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
2-methyl-N-[[5-(oxolan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79794373
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925937
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848960

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine?
The IUPAC name of N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine (CID 81249404) is N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine is Cc1cc(N(C)CC2CCCO2)c(CNCC(C)C)cn1.
What is the InChIKey of N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine?
The InChIKey is CTDXTKCVHHUDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)9-18-10-15-11-19-14(3)8-17(15)20(4)12-16-6-5-7-21-16/h8,11,13,16,18H,5-7,9-10,12H2,1-4H3.
What are the key properties of N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine?
N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 81249404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).