N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine

C12H21N3 — CID 62280397

IUPACN-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)CC
InChIInChI=1S/C12H21N3/c1-4-8-13-10-11-7-6-9-14-12(11)15(3)5-2/h6-7,9,13H,4-5,8,10H2,1-3H3
InChIKeyVZBCMDMHWZHCMX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.04
Rot. Bonds6

About N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine

N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 62280397) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
PubChem CID62280397
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)CC
InChIInChI=1S/C12H21N3/c1-4-8-13-10-11-7-6-9-14-12(11)15(3)5-2/h6-7,9,13H,4-5,8,10H2,1-3H3
InChIKeyVZBCMDMHWZHCMX-UHFFFAOYSA-N
XLogP2.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.04
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-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 79858850
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 62279941
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62281682
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280566
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632
3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62279064
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
3-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 55211030
N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine
CID 114199097

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine (CID 62280397) is N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cccnc1N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is VZBCMDMHWZHCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-8-13-10-11-7-6-9-14-12(11)15(3)5-2/h6-7,9,13H,4-5,8,10H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62280397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).