ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine

C13H29N — CID 177011684

IUPACethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine
SMILESCC.CNCCC1(C)CC(C(C)C)C1
InChIInChI=1S/C11H23N.C2H6/c1-9(2)10-7-11(3,8-10)5-6-12-4;1-2/h9-10,12H,5-8H2,1-4H3;1-2H3
InChIKeyHHHIVAKUYDVNAY-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds4

About ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine

ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine (PubChem CID 177011684) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine
PubChem CID177011684
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine
SMILESCC.CNCCC1(C)CC(C(C)C)C1
InChIInChI=1S/C11H23N.C2H6/c1-9(2)10-7-11(3,8-10)5-6-12-4;1-2/h9-10,12H,5-8H2,1-4H3;1-2H3
InChIKeyHHHIVAKUYDVNAY-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine?
The IUPAC name of ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine (CID 177011684) is ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine.
What is the SMILES notation for ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine?
The canonical SMILES for ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine is CC.CNCCC1(C)CC(C(C)C)C1.
What is the InChIKey of ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine?
The InChIKey is HHHIVAKUYDVNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-9(2)10-7-11(3,8-10)5-6-12-4;1-2/h9-10,12H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine?
ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(1-methyl-3-propan-2-ylcyclobutyl)ethanamine is sourced from PubChem (CID 177011684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).