azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine

C11H24N2 — CID 70593880

IUPACazane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine
SMILESCC1CCC2C(C)(C)C2(CN)C1.N
InChIInChI=1S/C11H21N.H3N/c1-8-4-5-9-10(2,3)11(9,6-8)7-12;/h8-9H,4-7,12H2,1-3H3;1H3
InChIKeyNKSVDDJYGVCUPA-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.57
Rot. Bonds1

About azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine

azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine (PubChem CID 70593880) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine.

Molecular Properties

Compound Nameazane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine
PubChem CID70593880
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameazane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine
SMILESCC1CCC2C(C)(C)C2(CN)C1.N
InChIInChI=1S/C11H21N.H3N/c1-8-4-5-9-10(2,3)11(9,6-8)7-12;/h8-9H,4-7,12H2,1-3H3;1H3
InChIKeyNKSVDDJYGVCUPA-UHFFFAOYSA-N
XLogP2.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine?
The IUPAC name of azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine (CID 70593880) is azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine.
What is the SMILES notation for azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine?
The canonical SMILES for azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine is CC1CCC2C(C)(C)C2(CN)C1.N.
What is the InChIKey of azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine?
The InChIKey is NKSVDDJYGVCUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.H3N/c1-8-4-5-9-10(2,3)11(9,6-8)7-12;/h8-9H,4-7,12H2,1-3H3;1H3.
What are the key properties of azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine?
azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine has a molecular weight of 184.33 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)methanamine is sourced from PubChem (CID 70593880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).