4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine

C18H35N — CID 123742465

IUPAC4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine
SMILESCCC(C)=C1CCC(C)(N)CCCCCC(C)C1C
InChIInChI=1S/C18H35N/c1-6-14(2)17-11-13-18(5,19)12-9-7-8-10-15(3)16(17)4/h15-16H,6-13,19H2,1-5H3
InChIKeyYTGUQRJNTKTDNS-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.45
Rot. Bonds1

About 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine

4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine (PubChem CID 123742465) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine.

Molecular Properties

Compound Name4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine
PubChem CID123742465
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine
SMILESCCC(C)=C1CCC(C)(N)CCCCCC(C)C1C
InChIInChI=1S/C18H35N/c1-6-14(2)17-11-13-18(5,19)12-9-7-8-10-15(3)16(17)4/h15-16H,6-13,19H2,1-5H3
InChIKeyYTGUQRJNTKTDNS-UHFFFAOYSA-N
XLogP5.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.45
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 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine?
The IUPAC name of 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine (CID 123742465) is 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine.
What is the SMILES notation for 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine?
The canonical SMILES for 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine is CCC(C)=C1CCC(C)(N)CCCCCC(C)C1C.
What is the InChIKey of 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine?
The InChIKey is YTGUQRJNTKTDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-6-14(2)17-11-13-18(5,19)12-9-7-8-10-15(3)16(17)4/h15-16H,6-13,19H2,1-5H3.
What are the key properties of 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine?
4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylidene-1,5,6-trimethylcycloundecan-1-amine is sourced from PubChem (CID 123742465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).