(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine

C12H23N — CID 124526640

IUPAC(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCCN[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H23N/c1-2-3-4-7-13-12-9-10-5-6-11(12)8-10/h10-13H,2-9H2,1H3/t10-,11-,12+/m0/s1
InChIKeyGOYUSDMNNAVPEX-SDDRHHMPSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds5

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

(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine (PubChem CID 124526640) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
PubChem CID124526640
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
SMILESCCCCCN[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H23N/c1-2-3-4-7-13-12-9-10-5-6-11(12)8-10/h10-13H,2-9H2,1H3/t10-,11-,12+/m0/s1
InChIKeyGOYUSDMNNAVPEX-SDDRHHMPSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
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'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115886368
N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
CID 70907454
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 98118353

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine (CID 124526640) is (1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine is CCCCCN[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is GOYUSDMNNAVPEX-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-4-7-13-12-9-10-5-6-11(12)8-10/h10-13H,2-9H2,1H3/t10-,11-,12+/m0/s1.
What are the key properties of (1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine?
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 124526640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).