ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine

C11H21N3 — CID 144892285

IUPACethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCCCNCc1ccccn1.CCN
InChIInChI=1S/C9H14N2.C2H7N/c1-2-6-10-8-9-5-3-4-7-11-9;1-2-3/h3-5,7,10H,2,6,8H2,1H3;2-3H2,1H3
InChIKeyKUDGVYBPGGZDCO-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.55
Rot. Bonds4

About ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine

ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 144892285) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Nameethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID144892285
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Nameethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCCCNCc1ccccn1.CCN
InChIInChI=1S/C9H14N2.C2H7N/c1-2-6-10-8-9-5-3-4-7-11-9;1-2-3/h3-5,7,10H,2,6,8H2,1H3;2-3H2,1H3
InChIKeyKUDGVYBPGGZDCO-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
N'-dipropylphosphanyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177197146
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
2-methylsulfinyl-N-(pyridin-2-ylmethyl)ethanamine
CID 115632570

Frequently Asked Questions

What is the IUPAC name of ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine (CID 144892285) is ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine is CCCNCc1ccccn1.CCN.
What is the InChIKey of ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is KUDGVYBPGGZDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H7N/c1-2-6-10-8-9-5-3-4-7-11-9;1-2-3/h3-5,7,10H,2,6,8H2,1H3;2-3H2,1H3.
What are the key properties of ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine?
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 144892285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).