ethane;2,5,6-trimethylhepta-2,5-dien-3-amine

C14H31N — CID 142055317

IUPACethane;2,5,6-trimethylhepta-2,5-dien-3-amine
SMILESCC.CC.CC(C)=C(C)CC(N)=C(C)C
InChIInChI=1S/C10H19N.2C2H6/c1-7(2)9(5)6-10(11)8(3)4;2*1-2/h6,11H2,1-5H3;2*1-2H3
InChIKeyYPXJKWDKPYDPDZ-UHFFFAOYSA-N
MW213.41 g/mol
LogP5.04
Rot. Bonds2

About ethane;2,5,6-trimethylhepta-2,5-dien-3-amine

ethane;2,5,6-trimethylhepta-2,5-dien-3-amine (PubChem CID 142055317) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is ethane;2,5,6-trimethylhepta-2,5-dien-3-amine.

Molecular Properties

Compound Nameethane;2,5,6-trimethylhepta-2,5-dien-3-amine
PubChem CID142055317
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Nameethane;2,5,6-trimethylhepta-2,5-dien-3-amine
SMILESCC.CC.CC(C)=C(C)CC(N)=C(C)C
InChIInChI=1S/C10H19N.2C2H6/c1-7(2)9(5)6-10(11)8(3)4;2*1-2/h6,11H2,1-5H3;2*1-2H3
InChIKeyYPXJKWDKPYDPDZ-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2,5,6-trimethylhepta-2,5-dien-3-amine?
The IUPAC name of ethane;2,5,6-trimethylhepta-2,5-dien-3-amine (CID 142055317) is ethane;2,5,6-trimethylhepta-2,5-dien-3-amine.
What is the SMILES notation for ethane;2,5,6-trimethylhepta-2,5-dien-3-amine?
The canonical SMILES for ethane;2,5,6-trimethylhepta-2,5-dien-3-amine is CC.CC.CC(C)=C(C)CC(N)=C(C)C.
What is the InChIKey of ethane;2,5,6-trimethylhepta-2,5-dien-3-amine?
The InChIKey is YPXJKWDKPYDPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.2C2H6/c1-7(2)9(5)6-10(11)8(3)4;2*1-2/h6,11H2,1-5H3;2*1-2H3.
What are the key properties of ethane;2,5,6-trimethylhepta-2,5-dien-3-amine?
ethane;2,5,6-trimethylhepta-2,5-dien-3-amine has a molecular weight of 213.41 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,5,6-trimethylhepta-2,5-dien-3-amine is sourced from PubChem (CID 142055317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).