ethane;N-(pyridin-2-ylmethyl)cyclopropanamine

C11H18N2 — CID 144801835

IUPACethane;N-(pyridin-2-ylmethyl)cyclopropanamine
SMILESCC.c1ccc(CNC2CC2)nc1
InChIInChI=1S/C9H12N2.C2H6/c1-2-6-10-9(3-1)7-11-8-4-5-8;1-2/h1-3,6,8,11H,4-5,7H2;1-2H3
InChIKeyBGCOCJUVDTVRRG-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.36
Rot. Bonds3

About ethane;N-(pyridin-2-ylmethyl)cyclopropanamine

ethane;N-(pyridin-2-ylmethyl)cyclopropanamine (PubChem CID 144801835) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;N-(pyridin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound Nameethane;N-(pyridin-2-ylmethyl)cyclopropanamine
PubChem CID144801835
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;N-(pyridin-2-ylmethyl)cyclopropanamine
SMILESCC.c1ccc(CNC2CC2)nc1
InChIInChI=1S/C9H12N2.C2H6/c1-2-6-10-9(3-1)7-11-8-4-5-8;1-2/h1-3,6,8,11H,4-5,7H2;1-2H3
InChIKeyBGCOCJUVDTVRRG-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 28731283
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951

Frequently Asked Questions

What is the IUPAC name of ethane;N-(pyridin-2-ylmethyl)cyclopropanamine?
The IUPAC name of ethane;N-(pyridin-2-ylmethyl)cyclopropanamine (CID 144801835) is ethane;N-(pyridin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for ethane;N-(pyridin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for ethane;N-(pyridin-2-ylmethyl)cyclopropanamine is CC.c1ccc(CNC2CC2)nc1.
What is the InChIKey of ethane;N-(pyridin-2-ylmethyl)cyclopropanamine?
The InChIKey is BGCOCJUVDTVRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-2-6-10-9(3-1)7-11-8-4-5-8;1-2/h1-3,6,8,11H,4-5,7H2;1-2H3.
What are the key properties of ethane;N-(pyridin-2-ylmethyl)cyclopropanamine?
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine has a molecular weight of 178.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(pyridin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 144801835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).