N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine

C12H16N2 — CID 115872152

IUPACN-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
SMILESC#CCCCNC(C)c1ccccn1
InChIInChI=1S/C12H16N2/c1-3-4-6-9-13-11(2)12-8-5-7-10-14-12/h1,5,7-8,10-11,13H,4,6,9H2,2H3
InChIKeyNJWVWOUPWGMEIG-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.15
Rot. Bonds5

About N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine

N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine (PubChem CID 115872152) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
PubChem CID115872152
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
SMILESC#CCCCNC(C)c1ccccn1
InChIInChI=1S/C12H16N2/c1-3-4-6-9-13-11(2)12-8-5-7-10-14-12/h1,5,7-8,10-11,13H,4,6,9H2,2H3
InChIKeyNJWVWOUPWGMEIG-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
N-(2-prop-2-ynylsulfanylethyl)-1-pyridin-2-ylethanamine
CID 115891511
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648846

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine?
The IUPAC name of N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine (CID 115872152) is N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine?
The canonical SMILES for N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine is C#CCCCNC(C)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine?
The InChIKey is NJWVWOUPWGMEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-4-6-9-13-11(2)12-8-5-7-10-14-12/h1,5,7-8,10-11,13H,4,6,9H2,2H3.
What are the key properties of N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine?
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine is sourced from PubChem (CID 115872152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).