7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine

C11H21NO — CID 79331705

IUPAC7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine
SMILESCOCCCC1(N)C2CCCCC21
InChIInChI=1S/C11H21NO/c1-13-8-4-7-11(12)9-5-2-3-6-10(9)11/h9-10H,2-8,12H2,1H3
InChIKeyVNCMSBAKHRSFKX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds4

About 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine

7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine (PubChem CID 79331705) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine
PubChem CID79331705
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine
SMILESCOCCCC1(N)C2CCCCC21
InChIInChI=1S/C11H21NO/c1-13-8-4-7-11(12)9-5-2-3-6-10(9)11/h9-10H,2-8,12H2,1H3
InChIKeyVNCMSBAKHRSFKX-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
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

1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol
CID 11550281
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine
CID 79330475
9-butyl-3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-amine
CID 123742804
2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65419438
3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol
CID 114852220
3-(3-methoxypropyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171952719
3-methoxypropoxycyclooctane
CID 68608033
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
CID 82239429
3-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 114535363
2-cyclopropyl-3-(4-methoxybutyl)oxolan-3-amine
CID 104650505

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine (CID 79331705) is 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine is COCCCC1(N)C2CCCCC21.
What is the InChIKey of 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine?
The InChIKey is VNCMSBAKHRSFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-13-8-4-7-11(12)9-5-2-3-6-10(9)11/h9-10H,2-8,12H2,1H3.
What are the key properties of 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine?
7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 79331705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).