2-hept-6-enoxycyclopentan-1-amine

C12H23NO — CID 107007745

IUPAC2-hept-6-enoxycyclopentan-1-amine
SMILESC=CCCCCCOC1CCCC1N
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-10-14-12-9-7-8-11(12)13/h2,11-12H,1,3-10,13H2
InChIKeyUUMQFDPPEVBNGV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds7

About 2-hept-6-enoxycyclopentan-1-amine

2-hept-6-enoxycyclopentan-1-amine (PubChem CID 107007745) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-hept-6-enoxycyclopentan-1-amine.

Molecular Properties

Compound Name2-hept-6-enoxycyclopentan-1-amine
PubChem CID107007745
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-hept-6-enoxycyclopentan-1-amine
SMILESC=CCCCCCOC1CCCC1N
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-10-14-12-9-7-8-11(12)13/h2,11-12H,1,3-10,13H2
InChIKeyUUMQFDPPEVBNGV-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Oxolan-2-yl)but-3-en-1-amine
CID 65331260
1-(Tetrahydrofuran-2-yl)prop-2-en-1-amine
CID 65588985
1-Propoxyhept-6-en-2-amine
CID 64298952
2-Ethoxyhept-6-en-3-amine
CID 64540277
2-Ethoxyoct-7-en-3-amine
CID 64542187
1-(Oxolan-2-yl)hex-5-en-1-amine
CID 65330919
1-(Oxolan-2-yl)pent-4-en-1-amine
CID 65331149
1-Ethoxyhept-6-en-2-amine
CID 65668941
2-Methoxyoct-7-en-3-amine
CID 79617515
2-Pent-4-enoxycycloheptan-1-amine
CID 104284683
2-Pent-4-enoxycyclopentan-1-amine
CID 104285007
2-But-3-enoxycyclopentan-1-amine
CID 104285124

Frequently Asked Questions

What is the IUPAC name of 2-hept-6-enoxycyclopentan-1-amine?
The IUPAC name of 2-hept-6-enoxycyclopentan-1-amine (CID 107007745) is 2-hept-6-enoxycyclopentan-1-amine.
What is the SMILES notation for 2-hept-6-enoxycyclopentan-1-amine?
The canonical SMILES for 2-hept-6-enoxycyclopentan-1-amine is C=CCCCCCOC1CCCC1N.
What is the InChIKey of 2-hept-6-enoxycyclopentan-1-amine?
The InChIKey is UUMQFDPPEVBNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-6-10-14-12-9-7-8-11(12)13/h2,11-12H,1,3-10,13H2.
What are the key properties of 2-hept-6-enoxycyclopentan-1-amine?
2-hept-6-enoxycyclopentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-6-enoxycyclopentan-1-amine is sourced from PubChem (CID 107007745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).