1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine

C10H20N2O — CID 114410639

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CC=CCC1
InChIInChI=1S/C10H20N2O/c1-13-8-5-10(11)9-12-6-3-2-4-7-12/h2-3,10H,4-9,11H2,1H3
InChIKeyQKQBNQJNGUOFFW-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.61
Rot. Bonds5

About 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine

1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine (PubChem CID 114410639) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine
PubChem CID114410639
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CC=CCC1
InChIInChI=1S/C10H20N2O/c1-13-8-5-10(11)9-12-6-3-2-4-7-12/h2-3,10H,4-9,11H2,1H3
InChIKeyQKQBNQJNGUOFFW-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114490224
1-(Cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine
CID 142920845
1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine
CID 142920889
4-methoxy-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine
CID 62477661
4-methoxy-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine
CID 81811131
1-N-ethyl-4-methoxy-1-N-prop-2-enylbutane-1,2-diamine
CID 81811551
4-methoxy-1-N-propan-2-yl-1-N-prop-2-enylbutane-1,2-diamine
CID 81811647
4-methoxy-1-N-prop-2-enyl-1-N-propylbutane-1,2-diamine
CID 81811865
1-N-tert-butyl-4-methoxy-1-N-prop-2-enylbutane-1,2-diamine
CID 81812220
1-N-cyclopropyl-4-methoxy-1-N-prop-2-enylbutane-1,2-diamine
CID 81812429
[1-(methoxymethyl)-3,6-dihydro-2H-pyridin-6-yl]methanamine
CID 82358806
2-(3,6-dihydro-2H-pyridin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103227322

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine (CID 114410639) is 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine is COCCC(N)CN1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine?
The InChIKey is QKQBNQJNGUOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-8-5-10(11)9-12-6-3-2-4-7-12/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine?
1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine has a molecular weight of 184.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine is sourced from PubChem (CID 114410639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).