N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine

C12H23NO — CID 62064254

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine
SMILESCC(C)CCCNCC1CCC=CO1
InChIInChI=1S/C12H23NO/c1-11(2)6-5-8-13-10-12-7-3-4-9-14-12/h4,9,11-13H,3,5-8,10H2,1-2H3
InChIKeyHHFSYFWFHDXZDV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine (PubChem CID 62064254) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine
PubChem CID62064254
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine
SMILESCC(C)CCCNCC1CCC=CO1
InChIInChI=1S/C12H23NO/c1-11(2)6-5-8-13-10-12-7-3-4-9-14-12/h4,9,11-13H,3,5-8,10H2,1-2H3
InChIKeyHHFSYFWFHDXZDV-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine (CID 62064254) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine is CC(C)CCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine?
The InChIKey is HHFSYFWFHDXZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)6-5-8-13-10-12-7-3-4-9-14-12/h4,9,11-13H,3,5-8,10H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 62064254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).