N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine

C14H27N3O — CID 55030686

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCC2CCC=CO2)CC1
InChIInChI=1S/C14H27N3O/c1-16-8-10-17(11-9-16)7-4-6-15-13-14-5-2-3-12-18-14/h3,12,14-15H,2,4-11,13H2,1H3
InChIKeyZCTPTYWNHDNDEU-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 55030686) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID55030686
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CCCNCC2CCC=CO2)CC1
InChIInChI=1S/C14H27N3O/c1-16-8-10-17(11-9-16)7-4-6-15-13-14-5-2-3-12-18-14/h3,12,14-15H,2,4-11,13H2,1H3
InChIKeyZCTPTYWNHDNDEU-UHFFFAOYSA-N
XLogP0.91
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-pyran-2-yl)-1,3-diazinane;hydrochloride
CID 24190934
1-[(E)-7-methoxyhept-6-enyl]piperazine
CID 57696018
1-(7-Methoxyhept-6-EN-1-YL)piperazine
CID 71013432
1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine;ethane
CID 143819446
1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-methylmethanamine;1-(3,4-dihydro-2H-pyran-2-yl)-N-methylmethanamine
CID 157977968
2-(3,4-dihydro-2H-pyran-2-yl)-1,3-diazinane
CID 419650
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55030349
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55030740
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine
CID 55030783
2-(azepan-1-yl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 55030788
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62064194
2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide
CID 62064229

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 55030686) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is CN1CCN(CCCNCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is ZCTPTYWNHDNDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-8-10-17(11-9-16)7-4-6-15-13-14-5-2-3-12-18-14/h3,12,14-15H,2,4-11,13H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 55030686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).