6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine

C13H19N3 — CID 83127170

IUPAC6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CCC)c1ccc(C(C)N)nc1
InChIInChI=1S/C13H19N3/c1-4-8-16(9-5-2)12-6-7-13(11(3)14)15-10-12/h1,6-7,10-11H,5,8-9,14H2,2-3H3
InChIKeyMJNCKSFPBYHXJN-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.95
Rot. Bonds5

About 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine

6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine (PubChem CID 83127170) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine.

Molecular Properties

Compound Name6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
PubChem CID83127170
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CCC)c1ccc(C(C)N)nc1
InChIInChI=1S/C13H19N3/c1-4-8-16(9-5-2)12-6-7-13(11(3)14)15-10-12/h1,6-7,10-11H,5,8-9,14H2,2-3H3
InChIKeyMJNCKSFPBYHXJN-UHFFFAOYSA-N
XLogP1.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 112584549
1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 112585490
(1S)-1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 103938925
N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 83123025
6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine
CID 83127891
6-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N-propylpyridin-3-amine
CID 83122583
N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 83122520
N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine
CID 83127735
N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
CID 112584544
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
CID 83127549
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine?
The IUPAC name of 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine (CID 83127170) is 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine.
What is the SMILES notation for 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine?
The canonical SMILES for 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine is C#CCN(CCC)c1ccc(C(C)N)nc1.
What is the InChIKey of 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine?
The InChIKey is MJNCKSFPBYHXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-8-16(9-5-2)12-6-7-13(11(3)14)15-10-12/h1,6-7,10-11H,5,8-9,14H2,2-3H3.
What are the key properties of 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine?
6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine has a molecular weight of 217.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine is sourced from PubChem (CID 83127170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).