N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine

C11H21NO — CID 2849477

IUPACN-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCOCCCNC1CC2CCC1C2
InChIInChI=1S/C11H21NO/c1-13-6-2-5-12-11-8-9-3-4-10(11)7-9/h9-12H,2-8H2,1H3
InChIKeyHNZZYTWEVTVZQF-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds5

About N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine

N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 2849477) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID2849477
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCOCCCNC1CC2CCC1C2
InChIInChI=1S/C11H21NO/c1-13-6-2-5-12-11-8-9-3-4-10(11)7-9/h9-12H,2-8H2,1H3
InChIKeyHNZZYTWEVTVZQF-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
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-methoxypropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine (CID 2849477) is N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine is COCCCNC1CC2CCC1C2.
What is the InChIKey of N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HNZZYTWEVTVZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-13-6-2-5-12-11-8-9-3-4-10(11)7-9/h9-12H,2-8H2,1H3.
What are the key properties of N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine?
N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 2849477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).