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

C13H25NO — CID 62064200

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCC1CCC=CO1
InChIInChI=1S/C13H25NO/c1-3-4-5-8-12(2)14-11-13-9-6-7-10-15-13/h7,10,12-14H,3-6,8-9,11H2,1-2H3
InChIKeyFIJKKSNWJBDYAJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds7

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine (PubChem CID 62064200) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine
PubChem CID62064200
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCC1CCC=CO1
InChIInChI=1S/C13H25NO/c1-3-4-5-8-12(2)14-11-13-9-6-7-10-15-13/h7,10,12-14H,3-6,8-9,11H2,1-2H3
InChIKeyFIJKKSNWJBDYAJ-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
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)heptan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine (CID 62064200) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine is CCCCCC(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine?
The InChIKey is FIJKKSNWJBDYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-8-12(2)14-11-13-9-6-7-10-15-13/h7,10,12-14H,3-6,8-9,11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)heptan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 3.24, 7 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)heptan-2-amine is sourced from PubChem (CID 62064200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).