ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine

C15H31N — CID 171550133

IUPACethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine
SMILESC=C(NC(C)CCCC)C1(C)CCC1.CC
InChIInChI=1S/C13H25N.C2H6/c1-5-6-8-11(2)14-12(3)13(4)9-7-10-13;1-2/h11,14H,3,5-10H2,1-2,4H3;1-2H3
InChIKeyMGYCMRCRDIDVLA-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.88
Rot. Bonds6

About ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine

ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine (PubChem CID 171550133) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine.

Molecular Properties

Compound Nameethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine
PubChem CID171550133
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Nameethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine
SMILESC=C(NC(C)CCCC)C1(C)CCC1.CC
InChIInChI=1S/C13H25N.C2H6/c1-5-6-8-11(2)14-12(3)13(4)9-7-10-13;1-2/h11,14H,3,5-10H2,1-2,4H3;1-2H3
InChIKeyMGYCMRCRDIDVLA-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine?
The IUPAC name of ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine (CID 171550133) is ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine.
What is the SMILES notation for ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine?
The canonical SMILES for ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine is C=C(NC(C)CCCC)C1(C)CCC1.CC.
What is the InChIKey of ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine?
The InChIKey is MGYCMRCRDIDVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C2H6/c1-5-6-8-11(2)14-12(3)13(4)9-7-10-13;1-2/h11,14H,3,5-10H2,1-2,4H3;1-2H3.
What are the key properties of ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine?
ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(1-methylcyclobutyl)ethenyl]hexan-2-amine is sourced from PubChem (CID 171550133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).