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

C14H21N3 — CID 112584549

IUPAC6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CCC)c1ccc(C(N)CC)nc1
InChIInChI=1S/C14H21N3/c1-4-9-17(10-5-2)12-7-8-14(16-11-12)13(15)6-3/h1,7-8,11,13H,5-6,9-10,15H2,2-3H3
InChIKeyHTHRUUHULYMQRZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.34
Rot. Bonds6

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

6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine (PubChem CID 112584549) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine.

Molecular Properties

Compound Name6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
PubChem CID112584549
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CCC)c1ccc(C(N)CC)nc1
InChIInChI=1S/C14H21N3/c1-4-9-17(10-5-2)12-7-8-14(16-11-12)13(15)6-3/h1,7-8,11,13H,5-6,9-10,15H2,2-3H3
InChIKeyHTHRUUHULYMQRZ-UHFFFAOYSA-N
XLogP2.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.34
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-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 83127170
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
6-[(1R)-1-aminopropyl]-N,N-dibutylpyridin-3-amine
CID 103936956
6-(1-aminopropyl)-N,N-diethylpyridin-3-amine
CID 112584036
6-[(1S)-1-aminopropyl]-N-methyl-N-propylpyridin-3-amine
CID 103936975
6-(1-aminopropyl)-N,N-bis(2-methylpropyl)pyridin-3-amine
CID 112584255
6-[(1R)-1-aminopropyl]-N-(2-ethoxyethyl)-N-ethylpyridin-3-amine
CID 113355135
N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
CID 112584544
6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 112584364
2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol
CID 104869538
N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 83123025

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine?
The IUPAC name of 6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine (CID 112584549) is 6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine.
What is the SMILES notation for 6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine?
The canonical SMILES for 6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine is C#CCN(CCC)c1ccc(C(N)CC)nc1.
What is the InChIKey of 6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine?
The InChIKey is HTHRUUHULYMQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-9-17(10-5-2)12-7-8-14(16-11-12)13(15)6-3/h1,7-8,11,13H,5-6,9-10,15H2,2-3H3.
What are the key properties of 6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine?
6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine is sourced from PubChem (CID 112584549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).