N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine

C15H27N3 — CID 80629655

IUPACN-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(CC)CCC)c(C)c1
InChIInChI=1S/C15H27N3/c1-5-8-16-11-14-10-13(4)15(17-12-14)18(7-3)9-6-2/h10,12,16H,5-9,11H2,1-4H3
InChIKeyYVOVDKRXZATQDY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.13
Rot. Bonds8

About N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine

N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 80629655) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
PubChem CID80629655
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(CC)CCC)c(C)c1
InChIInChI=1S/C15H27N3/c1-5-8-16-11-14-10-13(4)15(17-12-14)18(7-3)9-6-2/h10,12,16H,5-9,11H2,1-4H3
InChIKeyYVOVDKRXZATQDY-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.13
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

2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80628897
N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
CID 80635878
N'-ethyl-N'-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102995270
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629872
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80632816
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 55054577
N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80636506
2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
CID 80635329
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80636301
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine (CID 80629655) is N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine is CCCNCc1cnc(N(CC)CCC)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is YVOVDKRXZATQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-8-16-11-14-10-13(4)15(17-12-14)18(7-3)9-6-2/h10,12,16H,5-9,11H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine?
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 80629655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).