N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine

C13H21N3 — CID 105074309

IUPACN-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine
SMILESC=CCN(C)c1cnccc1CNC(C)C
InChIInChI=1S/C13H21N3/c1-5-8-16(4)13-10-14-7-6-12(13)9-15-11(2)3/h5-7,10-11,15H,1,8-9H2,2-4H3
InChIKeyFZCAMEDGWWGNNW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.20
Rot. Bonds6

About N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine

N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine (PubChem CID 105074309) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine.

Molecular Properties

Compound NameN-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine
PubChem CID105074309
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine
SMILESC=CCN(C)c1cnccc1CNC(C)C
InChIInChI=1S/C13H21N3/c1-5-8-16(4)13-10-14-7-6-12(13)9-15-11(2)3/h5-7,10-11,15H,1,8-9H2,2-4H3
InChIKeyFZCAMEDGWWGNNW-UHFFFAOYSA-N
XLogP2.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073184
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073225
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837
N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073614
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 105074326
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
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-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine?
The IUPAC name of N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine (CID 105074309) is N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine.
What is the SMILES notation for N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine?
The canonical SMILES for N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine is C=CCN(C)c1cnccc1CNC(C)C.
What is the InChIKey of N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine?
The InChIKey is FZCAMEDGWWGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-5-8-16(4)13-10-14-7-6-12(13)9-15-11(2)3/h5-7,10-11,15H,1,8-9H2,2-4H3.
What are the key properties of N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine?
N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine is sourced from PubChem (CID 105074309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).