(1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine

C7H13N — CID 130806116

IUPAC(1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine
SMILESCN(C)C1[C@H]2CC[C@@H]12
InChIInChI=1S/C7H13N/c1-8(2)7-5-3-4-6(5)7/h5-7H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyFLVFCJFKVXQQJX-MEKDEQNOSA-N
MW111.19 g/mol
LogP0.96
Rot. Bonds1

About (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine

(1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine (PubChem CID 130806116) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine.

Molecular Properties

Compound Name(1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine
PubChem CID130806116
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine
SMILESCN(C)C1[C@H]2CC[C@@H]12
InChIInChI=1S/C7H13N/c1-8(2)7-5-3-4-6(5)7/h5-7H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyFLVFCJFKVXQQJX-MEKDEQNOSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 58923790
7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine
CID 163482879
2-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]acetamide
CID 131207561
N,N-dimethyladamantan-2-amine;hydrochloride
CID 25339
2-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]propanamide
CID 130757921
[2,3-bis(dimethylamino)cyclopropyl] perchlorate
CID 134976868
(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine
CID 124768854
2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;dihydrate;trihydrochloride
CID 173394267
N,N-dimethylcyclobutanamine;N,N-dimethylmethanamine;ethane
CID 143754899
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one
CID 130920843
(1S,2S,3R,4R)-3-[(1R,2S,3R,4S)-3-(dimethylamino)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-ol
CID 119079782

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine?
The IUPAC name of (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine (CID 130806116) is (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine.
What is the SMILES notation for (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine?
The canonical SMILES for (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine is CN(C)C1[C@H]2CC[C@@H]12.
What is the InChIKey of (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine?
The InChIKey is FLVFCJFKVXQQJX-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H13N/c1-8(2)7-5-3-4-6(5)7/h5-7H,3-4H2,1-2H3/t5-,6+,7?.
What are the key properties of (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine?
(1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine has a molecular weight of 111.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine is sourced from PubChem (CID 130806116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).