(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine

C11H21NO — CID 6594927

IUPAC(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCOCCCN[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H21NO/c1-13-6-2-5-12-11-8-9-3-4-10(11)7-9/h9-12H,2-8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyHNZZYTWEVTVZQF-AXFHLTTASA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds5

About (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine

(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 6594927) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID6594927
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCOCCCN[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H21NO/c1-13-6-2-5-12-11-8-9-3-4-10(11)7-9/h9-12H,2-8H2,1H3/t9-,10+,11-/m0/s1
InChIKeyHNZZYTWEVTVZQF-AXFHLTTASA-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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Related Compounds

N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62842734
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
6-(2-bicyclo[2.2.1]heptanylamino)hexan-1-ol
CID 115906734
N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 65093327
N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115886368
N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
CID 70907454
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine (CID 6594927) is (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine is COCCCN[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is HNZZYTWEVTVZQF-AXFHLTTASA-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/t9-,10+,11-/m0/s1.
What are the key properties of (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine?
(1R,2S,4S)-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 (1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 6594927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).