(1S,6R)-bicyclo[4.1.0]heptan-1-amine

C7H13N — CID 124660494

IUPAC(1S,6R)-bicyclo[4.1.0]heptan-1-amine
SMILESN[C@]12CCCC[C@@H]1C2
InChIInChI=1S/C7H13N/c8-7-4-2-1-3-6(7)5-7/h6H,1-5,8H2/t6-,7+/m1/s1
InChIKeyUDJSTQSIBVOCMJ-RQJHMYQMSA-N
MW111.19 g/mol
LogP1.28
Rot. Bonds

About (1S,6R)-bicyclo[4.1.0]heptan-1-amine

(1S,6R)-bicyclo[4.1.0]heptan-1-amine (PubChem CID 124660494) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1S,6R)-bicyclo[4.1.0]heptan-1-amine.

Molecular Properties

Compound Name(1S,6R)-bicyclo[4.1.0]heptan-1-amine
PubChem CID124660494
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1S,6R)-bicyclo[4.1.0]heptan-1-amine
SMILESN[C@]12CCCC[C@@H]1C2
InChIInChI=1S/C7H13N/c8-7-4-2-1-3-6(7)5-7/h6H,1-5,8H2/t6-,7+/m1/s1
InChIKeyUDJSTQSIBVOCMJ-RQJHMYQMSA-N
XLogP1.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,6S)-bicyclo[4.1.0]heptan-1-amine
CID 55289374
1-cyclooctylcyclooctan-1-amine
CID 19973273
1-cyclopentyl-3-cyclopropylcyclohexan-1-amine
CID 64595261
1-cyclohexylcyclohexan-1-amine;nitrous acid
CID 157147588
1-cyclohexyl-3-methylcyclopentan-1-amine
CID 64514792
bicyclo[3.2.0]heptan-1-amine
CID 148858770
1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
CID 151791002
(1-cyclopentylcyclopentyl)silane
CID 174790060
4-cyclopentylthian-4-amine
CID 83684340
4-cycloheptyloxepan-4-amine
CID 82931181
tricyclo[4.3.1.12,5]undecan-1-amine
CID 18965986
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-bicyclo[4.1.0]heptan-1-amine?
The IUPAC name of (1S,6R)-bicyclo[4.1.0]heptan-1-amine (CID 124660494) is (1S,6R)-bicyclo[4.1.0]heptan-1-amine.
What is the SMILES notation for (1S,6R)-bicyclo[4.1.0]heptan-1-amine?
The canonical SMILES for (1S,6R)-bicyclo[4.1.0]heptan-1-amine is N[C@]12CCCC[C@@H]1C2.
What is the InChIKey of (1S,6R)-bicyclo[4.1.0]heptan-1-amine?
The InChIKey is UDJSTQSIBVOCMJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13N/c8-7-4-2-1-3-6(7)5-7/h6H,1-5,8H2/t6-,7+/m1/s1.
What are the key properties of (1S,6R)-bicyclo[4.1.0]heptan-1-amine?
(1S,6R)-bicyclo[4.1.0]heptan-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-bicyclo[4.1.0]heptan-1-amine is sourced from PubChem (CID 124660494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).