6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine

C14H19N3 — CID 83127891

IUPAC6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CC1CC1)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C14H19N3/c1-3-8-17(10-12-4-5-12)13-6-7-14(11(2)15)16-9-13/h1,6-7,9,11-12H,4-5,8,10,15H2,2H3/t11-/m1/s1
InChIKeyLFNVGLRYWPOIHW-LLVKDONJSA-N
MW229.33 g/mol
LogP1.95
Rot. Bonds5

About 6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine

6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine (PubChem CID 83127891) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine
PubChem CID83127891
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CC1CC1)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C14H19N3/c1-3-8-17(10-12-4-5-12)13-6-7-14(11(2)15)16-9-13/h1,6-7,9,11-12H,4-5,8,10,15H2,2H3/t11-/m1/s1
InChIKeyLFNVGLRYWPOIHW-LLVKDONJSA-N
XLogP1.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
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-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
CID 83127549
6-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N-propylpyridin-3-amine
CID 83122583
N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine
CID 83127735
6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 83127170
(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol
CID 83132171
6-(1-aminoethyl)-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 83127943
1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119574
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
6-(1-aminoethyl)-N-cyclopropyl-N-methylpyridin-3-amine
CID 83122472
(1R)-1-[5-[cyclopropylmethyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 113355380
6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 112584549
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine?
The IUPAC name of 6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine (CID 83127891) is 6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine is C#CCN(CC1CC1)c1ccc([C@@H](C)N)nc1.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine?
The InChIKey is LFNVGLRYWPOIHW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-8-17(10-12-4-5-12)13-6-7-14(11(2)15)16-9-13/h1,6-7,9,11-12H,4-5,8,10,15H2,2H3/t11-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine?
6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine has a molecular weight of 229.33 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-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine is sourced from PubChem (CID 83127891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).