N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine

C13H23N3 — CID 62284795

IUPACN-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)C(C)C)c1
InChIInChI=1S/C13H23N3/c1-5-7-14-10-12-6-8-15-13(9-12)16(4)11(2)3/h6,8-9,11,14H,5,7,10H2,1-4H3
InChIKeyVDJDKMWWOPWFCR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine

N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 62284795) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
PubChem CID62284795
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)C(C)C)c1
InChIInChI=1S/C13H23N3/c1-5-7-14-10-12-6-8-15-13(9-12)16(4)11(2)3/h6,8-9,11,14H,5,7,10H2,1-4H3
InChIKeyVDJDKMWWOPWFCR-UHFFFAOYSA-N
XLogP2.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 82952306
N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 62285114
N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine
CID 62294939
N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55059635
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115987705
N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine
CID 62279317
N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine
CID 62284119
4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62280087
N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285974
N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62296826
N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 102997386
N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 63699684

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine (CID 62284795) is N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccnc(N(C)C(C)C)c1.
What is the InChIKey of N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is VDJDKMWWOPWFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-7-14-10-12-6-8-15-13(9-12)16(4)11(2)3/h6,8-9,11,14H,5,7,10H2,1-4H3.
What are the key properties of N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine?
N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62284795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).