N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine

C14H25NO — CID 115763808

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine
SMILESC1=C(CCNC2CCCCCC2)CCOC1
InChIInChI=1S/C14H25NO/c1-2-4-6-14(5-3-1)15-10-7-13-8-11-16-12-9-13/h8,14-15H,1-7,9-12H2
InChIKeyJYJHRSRLNVCWKW-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine (PubChem CID 115763808) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine
PubChem CID115763808
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine
SMILESC1=C(CCNC2CCCCCC2)CCOC1
InChIInChI=1S/C14H25NO/c1-2-4-6-14(5-3-1)15-10-7-13-8-11-16-12-9-13/h8,14-15H,1-7,9-12H2
InChIKeyJYJHRSRLNVCWKW-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 115896002
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclobutanamine
CID 104005710
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
CID 115741741
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine
CID 115741742
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115763581
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methoxypropan-2-amine
CID 115763582
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methylcyclohexan-1-amine
CID 115763771
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine
CID 115763772
N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
CID 115763777
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclohexanamine
CID 115763783
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115763788

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine (CID 115763808) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine is C1=C(CCNC2CCCCCC2)CCOC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine?
The InChIKey is JYJHRSRLNVCWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-4-6-14(5-3-1)15-10-7-13-8-11-16-12-9-13/h8,14-15H,1-7,9-12H2.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine has a molecular weight of 223.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 115763808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).