5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine

C15H30N2O — CID 114413459

IUPAC5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine
SMILESCOCC1=CCN(CCCCCNC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-14(2)16-9-5-4-6-10-17-11-7-15(8-12-17)13-18-3/h7,14,16H,4-6,8-13H2,1-3H3
InChIKeyVYSNQPVDRXJEJP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds9

About 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine

5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine (PubChem CID 114413459) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine
PubChem CID114413459
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine
SMILESCOCC1=CCN(CCCCCNC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-14(2)16-9-5-4-6-10-17-11-7-15(8-12-17)13-18-3/h7,14,16H,4-6,8-13H2,1-3H3
InChIKeyVYSNQPVDRXJEJP-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
(E)-3-ethyl-5-methoxy-N-propan-2-ylhex-3-en-1-amine
CID 156192030
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 163951235
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 103227337
N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227339
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
CID 103227340

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine (CID 114413459) is 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine is COCC1=CCN(CCCCCNC(C)C)CC1.
What is the InChIKey of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine?
The InChIKey is VYSNQPVDRXJEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2)16-9-5-4-6-10-17-11-7-15(8-12-17)13-18-3/h7,14,16H,4-6,8-13H2,1-3H3.
What are the key properties of 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine?
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 114413459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).