1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine

C12H23NO — CID 102649541

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine
SMILESCCCCCCC(N)C1=CCCCO1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-8-11(13)12-9-6-7-10-14-12/h9,11H,2-8,10,13H2,1H3
InChIKeyPGWYQQBPUHLEQX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.98
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine (PubChem CID 102649541) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine
PubChem CID102649541
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine
SMILESCCCCCCC(N)C1=CCCCO1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-8-11(13)12-9-6-7-10-14-12/h9,11H,2-8,10,13H2,1H3
InChIKeyPGWYQQBPUHLEQX-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 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 ≤ 52.98
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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Related Compounds

6-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
(2S)-1-[(9Z,12Z)-octadeca-9,12-dien-1-yloxy]undecan-2-amine
CID 56948153
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoxy]dodecan-2-amine
CID 56948154
(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoxy]dodecan-2-amine
CID 56948272
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoxy]decan-2-amine
CID 56948273
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoxy]nonan-2-amine
CID 56948274
5-(Cyclohexen-1-yl)-3-methoxypentane-1,4-diamine
CID 67562607
1-Octadeca-9,12-dienoxydodecan-2-amine
CID 76471068
1-Octadeca-9,12-dienoxydecan-2-amine
CID 76471130
(12E,15E)-1-octoxyhenicosa-12,15-dien-2-amine
CID 87173663
(2S)-1-[(Z)-dodec-9-enoxy]undecan-2-amine
CID 87174213
(Z)-6-methoxyoct-6-ene-1,5-diamine
CID 88874149

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine (CID 102649541) is 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine is CCCCCCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine?
The InChIKey is PGWYQQBPUHLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-8-11(13)12-9-6-7-10-14-12/h9,11H,2-8,10,13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-amine is sourced from PubChem (CID 102649541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).