N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine

C13H23N3O — CID 80636357

IUPACN-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)CCCOC)c(C)c1
InChIInChI=1S/C13H23N3O/c1-11-8-12(9-14-2)10-15-13(11)16(3)6-5-7-17-4/h8,10,14H,5-7,9H2,1-4H3
InChIKeyBYMXQFJJVUTLCO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.58
Rot. Bonds7

About N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine

N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine (PubChem CID 80636357) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
PubChem CID80636357
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)CCCOC)c(C)c1
InChIInChI=1S/C13H23N3O/c1-11-8-12(9-14-2)10-15-13(11)16(3)6-5-7-17-4/h8,10,14H,5-7,9H2,1-4H3
InChIKeyBYMXQFJJVUTLCO-UHFFFAOYSA-N
XLogP1.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 80635616
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80629569
N,3-dimethyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 80629000
N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80637710
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline
CID 63007851
2-N-(3-methoxypropyl)-2-N,5-dimethylpyridine-2,3-diamine
CID 66279324
N,3-dimethyl-5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630432
N,3-dimethyl-5-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 80630644
N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631433
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80630395
3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine (CID 80636357) is N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine is CNCc1cnc(N(C)CCCOC)c(C)c1.
What is the InChIKey of N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine?
The InChIKey is BYMXQFJJVUTLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-8-12(9-14-2)10-15-13(11)16(3)6-5-7-17-4/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine?
N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 80636357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).