(1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine

C10H15N — CID 67050806

IUPAC(1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine
SMILESCCN/C1=C/C=C\C=C/CC1
InChIInChI=1S/C10H15N/c1-2-11-10-8-6-4-3-5-7-9-10/h3-6,8,11H,2,7,9H2,1H3/b5-3-,6-4-,10-8+
InChIKeyINCNHNHFYYYRQX-MARZPFHASA-N
MW149.24 g/mol
LogP2.39
Rot. Bonds2

About (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine

(1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine (PubChem CID 67050806) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine
PubChem CID67050806
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine
SMILESCCN/C1=C/C=C\C=C/CC1
InChIInChI=1S/C10H15N/c1-2-11-10-8-6-4-3-5-7-9-10/h3-6,8,11H,2,7,9H2,1H3/b5-3-,6-4-,10-8+
InChIKeyINCNHNHFYYYRQX-MARZPFHASA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine (CID 67050806) is (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine is CCN/C1=C/C=C\C=C/CC1.
What is the InChIKey of (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine?
The InChIKey is INCNHNHFYYYRQX-MARZPFHASA-N. The full InChI is InChI=1S/C10H15N/c1-2-11-10-8-6-4-3-5-7-9-10/h3-6,8,11H,2,7,9H2,1H3/b5-3-,6-4-,10-8+.
What are the key properties of (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine is sourced from PubChem (CID 67050806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).